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Search Results (781)

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16 pages, 1287 KiB  
Article
Factorization and Closed Form of Quantum Density Operators and Related Multiplicity
by Gianfranco Cariolaro and Edi Ruffa
AppliedMath 2025, 5(1), 13; https://doi.org/10.3390/appliedmath5010013 - 6 Feb 2025
Abstract
The final goal of this paper is to organize the tools needed to study digital Quantum Communications, where classical information is entrusted to quantum states represented by density operators. A density operator is usually defined starting from a set of kets in the [...] Read more.
The final goal of this paper is to organize the tools needed to study digital Quantum Communications, where classical information is entrusted to quantum states represented by density operators. A density operator is usually defined starting from a set of kets in the Hilbert space and a probability distribution. A fundamental problem in Quantum Communications is the factorization of such operators of the form ρ=γγ*, where γ is a matrix called a density factor (DF). The environments considered are finite dimensional Hilbert space (discrete variables) and infinite dimensional Hilbert space (continuous variables). Using discrete variables, the multiplicity and the variety of DFs are investigated using the tools of matrix analysis, arriving in particular to establish the DF with minimal size. With continuous variables, the target is the closed-form factorization, which is achieved with recent results for the important class of Gaussian states. Finally, an application is carried out in Quantum Communications with noisy Gaussian states. Full article
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Figure 1
<p>Quantum Communications system for digital transmission. <math display="inline"><semantics> <mrow> <mo>{</mo> <msub> <mi>A</mi> <mi>n</mi> </msub> <mo>}</mo> </mrow> </semantics></math> is a sequence of classical symbols of information that Alice conveys into a sequence of quantum states <math display="inline"><semantics> <mrow> <mo>{</mo> <mo>|</mo> <msub> <mi>γ</mi> <msub> <mi>A</mi> <mi>n</mi> </msub> </msub> <mo>〉</mo> <mo>}</mo> </mrow> </semantics></math>. Bob performs a quantum measurement to argue, from the result <span class="html-italic">m</span> of the measurement, which symbol was transmitted.</p>
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<p>Gaussian unitaries (operators) and the subclasses of displacement, rotation, and squeezing.</p>
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<p>Generation of a noised Gaussian state from the thermal state.</p>
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<p>The Hermite–Kampé de Feriét polynomial <math display="inline"><semantics> <mrow> <msub> <mi mathvariant="script">H</mi> <mi>n</mi> </msub> <mrow> <mo>(</mo> <mi>x</mi> <mo>,</mo> <mi>y</mi> <mo>)</mo> </mrow> </mrow> </semantics></math> for <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mn>5</mn> </mrow> </semantics></math>.</p>
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<p>Error probability as a function of <math display="inline"><semantics> <mi>α</mi> </semantics></math> with different values of the number of thermal photons <math display="inline"><semantics> <mi mathvariant="script">N</mi> </semantics></math> in the absence of squeezing.</p>
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<p>Error probability as a function of <math display="inline"><semantics> <mrow> <mo>|</mo> <mi>α</mi> <mo>|</mo> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <mi mathvariant="script">N</mi> <mo>=</mo> <mn>0.1</mn> </mrow> </semantics></math> and different squeezing factors.</p>
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12 pages, 270 KiB  
Article
Total Momentum and Other Noether Charges for Particles Interacting in a Quantum Spacetime
by Giovanni Amelino-Camelia, Giuseppe Fabiano and Domenico Frattulillo
Symmetry 2025, 17(2), 227; https://doi.org/10.3390/sym17020227 - 5 Feb 2025
Viewed by 197
Abstract
There has been strong interest in the fate of relativistic symmetries in some quantum spacetimes, partly because of its possible relevance for high-precision experimental tests of relativistic properties. However, the main technical results obtained so far concern the description of suitably deformed relativistic [...] Read more.
There has been strong interest in the fate of relativistic symmetries in some quantum spacetimes, partly because of its possible relevance for high-precision experimental tests of relativistic properties. However, the main technical results obtained so far concern the description of suitably deformed relativistic symmetry transformation rules, whereas the properties of the associated Noether charges, which are crucial for the phenomenology, are still poorly understood. Here, we tackle this problem focusing on first-quantized particles described within a Hamiltonian framework and using as a toy model the so-called “spatial kappa-Minkowski noncommutative spacetime”, where all the relevant conceptual challenges are present but, as here shown, in technically manageable fashion. We derive the Noether charges, including the much-debated total momentum charges, and we reveal a strong link between the properties of these Noether charges and the structure of the laws of interaction among particles. Full article
(This article belongs to the Section Physics)
13 pages, 10346 KiB  
Article
Charging a Dimerized Quantum XY Chain
by Riccardo Grazi, Fabio Cavaliere, Niccolò Traverso Ziani and Dario Ferraro
Symmetry 2025, 17(2), 220; https://doi.org/10.3390/sym17020220 - 2 Feb 2025
Viewed by 242
Abstract
Quantum batteries are quantum systems designed to store energy and release it on demand. The optimization of their performance is an intensively studied topic within the realm of quantum technologies. Such optimization forces the question: how do quantum many-body systems work as quantum [...] Read more.
Quantum batteries are quantum systems designed to store energy and release it on demand. The optimization of their performance is an intensively studied topic within the realm of quantum technologies. Such optimization forces the question: how do quantum many-body systems work as quantum batteries? To address this issue, we rely on symmetry and symmetry breaking via quantum phase transitions. Specifically, we analyze a dimerized quantum XY chain in a transverse field as a prototype of an energy storage device. This model, which is characterized by ground states with different symmetries depending on the Hamiltonian parameters, can be mapped onto a spinless fermionic chain with superconducting correlations, displaying a rich quantum phase diagram. We show that the stored energy strongly depends on the quantum phase diagram of the model when large charging times are considered. Full article
(This article belongs to the Section Physics)
17 pages, 416 KiB  
Article
A Simplex Model of Long Pathways in the Brain Related to the Minimalist Program in Linguistics
by Atsuhide Mori
Symmetry 2025, 17(2), 207; https://doi.org/10.3390/sym17020207 - 29 Jan 2025
Viewed by 324
Abstract
Marcolli, Chomsky, and Berwick described the minimalist program, proposed by Chomsky in generative linguistics, as an algebra of binary trees in an analogy of quantum physics on Feynman diagrams. In this paper, we proposed another model of the minimalist program based on simplicial [...] Read more.
Marcolli, Chomsky, and Berwick described the minimalist program, proposed by Chomsky in generative linguistics, as an algebra of binary trees in an analogy of quantum physics on Feynman diagrams. In this paper, we proposed another model of the minimalist program based on simplicial Hodge theory by taking the relevant brain neural network into account. We focused on a long directed pathway connecting distant areas in the brain, and took the (abstract) simplex spanning the locations on the terminal area, which the signals going through the pathway can reach. The identity of each signal is represented by the symmetry of the corresponding face, consisting of locations receiving the signal simultaneously. Then, we showed that this model fits the minimalist program. Further, we calculated the spectrum and eigenspaces of the Hodge Laplacian in important cases and found their surprising rationality. According to this rationality, we could draw pictures of syntactic relations based only on the calculation without using linguistic knowledge. In addition, though word order depends on what language is used, and thus has nothing to do with the minimalist program, planar word arrangements are still possible and within the scope of our model. Full article
(This article belongs to the Section Life Sciences)
18 pages, 357 KiB  
Article
Testing the Universality of Quantum Gravity Theories with Cosmic Messengers in the Context of DSR Theories
by Marco Danilo Claudio Torri
Symmetry 2025, 17(2), 203; https://doi.org/10.3390/sym17020203 - 28 Jan 2025
Viewed by 327
Abstract
Recently there have been several studies devoted to the investigation of the fate of fundamental relativistic symmetries at the foreseen unification of gravity and quantum regime, that is the Planck scale. In order to preserve covariance of the formulation even if in an [...] Read more.
Recently there have been several studies devoted to the investigation of the fate of fundamental relativistic symmetries at the foreseen unification of gravity and quantum regime, that is the Planck scale. In order to preserve covariance of the formulation even if in an amended formulation, new mathematical tools are required. In this work, we consider DSR theories that modify covariance by introducing a non-trivial structure in momentum space. Additionally, we explore the possibility of investigating both universal quantum gravity corrections and scenarios where different particle species are corrected differently within the framework of these models. Several astroparticle phenomena are then analyzed to test the phenomenological predictions of DSR models. Full article
(This article belongs to the Special Issue Lorentz Invariance Violation and Space–Time Symmetry Breaking)
21 pages, 1936 KiB  
Article
Leveraging Quantum Machine Learning to Address Class Imbalance: A Novel Approach for Enhanced Predictive Accuracy
by Seongjun Kwon, Jihye Huh, Sang Ji Kwon, Sang-ho Choi and Ohbyung Kwon
Symmetry 2025, 17(2), 186; https://doi.org/10.3390/sym17020186 - 25 Jan 2025
Viewed by 458
Abstract
The class imbalance problem presents a critical challenge in real-world applications, particularly in high-stakes domains such as healthcare, finance, disaster management, and fault diagnosis, where accurate anomaly detection is paramount. Class imbalance often disrupts the inherent symmetry of data distributions, resulting in suboptimal [...] Read more.
The class imbalance problem presents a critical challenge in real-world applications, particularly in high-stakes domains such as healthcare, finance, disaster management, and fault diagnosis, where accurate anomaly detection is paramount. Class imbalance often disrupts the inherent symmetry of data distributions, resulting in suboptimal performance of traditional machine learning models. Conventional approaches such as undersampling and oversampling are commonly employed to address this issue; however, these methods can introduce additional asymmetries, including information loss and overfitting, which ultimately compromise model efficacy. This study introduces an innovative approach leveraging quantum machine learning (QML), specifically the Variational Quantum Classifier (VQC), to restore and capitalize on the symmetrical properties of data distributions without relying on resampling techniques. By employing quantum circuits optimized to mitigate the asymmetries inherent in imbalanced datasets, the proposed method demonstrates consistently superior performance across diverse datasets, with notable improvements in Recall for minority classes. These findings underscore the potential of quantum machine learning as a robust alternative to classical methods, offering a symmetry-aware solution to class imbalance and advancing QML-driven technologies in fields where equitable representation and symmetry are of critical importance. Full article
(This article belongs to the Section Computer)
20 pages, 840 KiB  
Review
Continuum Effect on Mirror Symmetry Breaking Within the Gamow Frameworks
by Shuang Zhang, Zhicheng Xu and Simin Wang
Symmetry 2025, 17(2), 169; https://doi.org/10.3390/sym17020169 - 23 Jan 2025
Viewed by 447
Abstract
Nuclear physics provides a natural laboratory for studying two kinds of fermions: protons and neutrons. These particles share similarities in mass and strong nuclear interactions, which are often described by isospin symmetry. However, isospin is not a good quantum number due to the [...] Read more.
Nuclear physics provides a natural laboratory for studying two kinds of fermions: protons and neutrons. These particles share similarities in mass and strong nuclear interactions, which are often described by isospin symmetry. However, isospin is not a good quantum number due to the differences between protons and neutrons in charge and quark mass. These differences become more pronounced as we approach or move beyond the dripline, affecting the structures and decay properties of mirror nuclei. To explore these intriguing phenomena, researchers have developed novel theoretical frameworks. In this article, we review the results from the Gamow shell model and Gamow coupled-channel, which account for the mirror symmetry breaking influenced by nuclear forces and continuum effects. Specifically, we discuss the recently observed mirror asymmetries in nuclei at the boundaries of the nuclide landscape and their theoretical explanations. We examine the breaking of mirror symmetry in the spectra of N=8 isotones versus Z=8 isotopes, as well as the decay properties of the 22Al-22F mirror pair. Such studies enhance our understanding of strong interactions and the behavior of open quantum systems. Full article
(This article belongs to the Special Issue Isospin Symmetry/Asymmetry in Experimental Nuclear Physics)
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<p>Energy spectra (with respect to the core) of <sup>11,12</sup>O, their isobaric analogs <sup>11</sup>Li and <sup>12</sup>Be, and neighboring nuclei <sup>10,11</sup>N. The decay widths are marked by gray bars. The GCC results in the top (bottom) panels are for the core+valence potentials whose depths were readjusted to fit the spectra of <sup>11</sup>N (<sup>10</sup>N). This figure is taken from [<a href="#B126-symmetry-17-00169" class="html-bibr">126</a>].</p>
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<p>Two−nucleon density distributions (in <math display="inline"><semantics> <msup> <mi>fm</mi> <mrow> <mo>−</mo> <mn>2</mn> </mrow> </msup> </semantics></math>) in Jacobi coordinates predicted in GCC for low-lying resonant states in <sup>11</sup>O (<b>a</b>–<b>c</b>) and <sup>11</sup>Li (<b>d</b>–<b>f</b>). This figure is taken from [<a href="#B5-symmetry-17-00169" class="html-bibr">5</a>].</p>
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<p>Comparison of the excitation energies (<math display="inline"><semantics> <msub> <mi>E</mi> <mi>x</mi> </msub> </semantics></math>, in MeV) and widths (in keV) of mirroring nuclear states of carbon isotones and isotopes. Excitation energies of a nucleus are given with respect to its ground state energy. Widths are represented by green striped squares, and their explicit values are written above. The GSM calculations are compared with available experimental data. Experimental data of <sup>16</sup>Ne are taken from Ref. [<a href="#B135-symmetry-17-00169" class="html-bibr">135</a>], whereas all other data are taken from Ref. [<a href="#B136-symmetry-17-00169" class="html-bibr">136</a>]. This figure is taken from [<a href="#B133-symmetry-17-00169" class="html-bibr">133</a>].</p>
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<p>Level diagrams of <sup>8</sup>C and <sup>9</sup>N obtained experimentally and calculated with the GSM. Energies are given relative to the <sup>4</sup>He threshold. The level diagram of <sup>9</sup>He, the mirror partner of <sup>9</sup>N, is shown in the inset. The <math display="inline"><semantics> <mrow> <mn>1</mn> <mo>/</mo> <msup> <mn>2</mn> <mo>+</mo> </msup> </mrow> </semantics></math> antibound state in <sup>9</sup>He is shown with a wavy line to indicate its status more as a scattering feature rather than a real state. The proposed <math display="inline"><semantics> <mrow> <mn>1</mn> <mo>/</mo> <msup> <mn>2</mn> <mo>+</mo> </msup> </mrow> </semantics></math> state in <sup>9</sup>N is shown with both straight and wavy lines to indicate the uncertainty with regard to its nature (a resonance or scattering feature), while the GSM interprets it as a broad resonant state. This figure is taken from [<a href="#B18-symmetry-17-00169" class="html-bibr">18</a>].</p>
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<p>Excitation spectra of <math display="inline"><semantics> <mrow> <mi>A</mi> <mo>=</mo> <mn>19</mn> </mrow> </semantics></math> mirror partners, <sup>19</sup>O and <sup>19</sup>Na. “NN” and “3N” indicate calculations with NN only and 3NF included, respectively. Dashed levels present SM calculations without continuum included, while solid levels give GSM calculations with continuum included. Shading indicates the resonance of the <math display="inline"><semantics> <mrow> <mn>1</mn> <mo>/</mo> <msup> <mn>2</mn> <mo>+</mo> </msup> </mrow> </semantics></math> TES state with width (in MeV) given below the level. This figure is taken from [<a href="#B105-symmetry-17-00169" class="html-bibr">105</a>].</p>
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<p>GSM calculations of spectra with 3NF included for the mirror nuclei <sup>22</sup>O and <sup>22</sup>Si. The experimental data of <sup>22</sup>O are from [<a href="#B136-symmetry-17-00169" class="html-bibr">136</a>]. This figure is taken from [<a href="#B105-symmetry-17-00169" class="html-bibr">105</a>].</p>
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<p>MEDs for the <math display="inline"><semantics> <msubsup> <mn>1</mn> <mn>1</mn> <mo>+</mo> </msubsup> </semantics></math> and <math display="inline"><semantics> <msubsup> <mn>1</mn> <mn>2</mn> <mo>+</mo> </msubsup> </semantics></math> analog states between mirror nuclei <sup>22</sup>Al and <sup>22</sup>F, calculated by standard SM with USDC and EM1.8/2.0 (abbreviated by EM) and by GSM with EM1.8/2.0, compared with data [<a href="#B17-symmetry-17-00169" class="html-bibr">17</a>,<a href="#B136-symmetry-17-00169" class="html-bibr">136</a>]. This figure is taken from [<a href="#B106-symmetry-17-00169" class="html-bibr">106</a>].</p>
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<p><math display="inline"><semantics> <mrow> <mi>A</mi> <mo>≈</mo> <mn>20</mn> </mrow> </semantics></math> GT transition matrix elements calculated by GSM and SM with EM1.8/2.0 compared with data [<a href="#B17-symmetry-17-00169" class="html-bibr">17</a>,<a href="#B136-symmetry-17-00169" class="html-bibr">136</a>]. This figure is taken from [<a href="#B106-symmetry-17-00169" class="html-bibr">106</a>].</p>
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16 pages, 268 KiB  
Article
Bratteli Diagrams, Hopf–Galois Extensions and Calculi
by Ghaliah Alhamzi and Edwin Beggs
Symmetry 2025, 17(2), 164; https://doi.org/10.3390/sym17020164 - 22 Jan 2025
Viewed by 294
Abstract
Hopf–Galois extensions extend the idea of principal bundles to noncommutative geometry, using Hopf algebras as symmetries. We show that the matrix embeddings in Bratteli diagrams are iterated direct sums of Hopf–Galois extensions (quantum principal bundles) for certain finite abelian groups. The corresponding strong [...] Read more.
Hopf–Galois extensions extend the idea of principal bundles to noncommutative geometry, using Hopf algebras as symmetries. We show that the matrix embeddings in Bratteli diagrams are iterated direct sums of Hopf–Galois extensions (quantum principal bundles) for certain finite abelian groups. The corresponding strong universal connections are computed. We show that Mn(C) is a trivial quantum principle bundle for the Hopf algebra C[Zn×Zn]. We conclude with an application relating calculi on groups to calculi on matrices. Full article
(This article belongs to the Section Mathematics)
21 pages, 601 KiB  
Article
Quantum Entanglement Asymmetry and the Cosmic Matter–Antimatter Imbalance: A Theoretical and Observational Analysis
by Florian Neukart
Entropy 2025, 27(2), 103; https://doi.org/10.3390/e27020103 - 22 Jan 2025
Viewed by 529
Abstract
We propose a distinct mechanism to explain the matter–antimatter imbalance observed in the universe, rooted in quantum entanglement asymmetry (QEA). Our concept of QEA differs from its usage in the recent literature, where it typically measures how much symmetry is broken within a [...] Read more.
We propose a distinct mechanism to explain the matter–antimatter imbalance observed in the universe, rooted in quantum entanglement asymmetry (QEA). Our concept of QEA differs from its usage in the recent literature, where it typically measures how much symmetry is broken within a subsystem of a larger quantum system. Here, we define QEA as an intrinsic asymmetry in the entanglement properties of particle–antiparticle pairs in the early universe, leading to a preferential survival of matter over antimatter. We develop a theoretical framework incorporating QEA into the standard cosmological model, providing clear justification for the asymmetry in entangled states and corresponding modifications to the Hamiltonian. Numerical simulations using lattice Quantum Chromodynamics (QCD) demonstrate that QEA can produce a net baryon asymmetry consistent with observations. We also predict specific signatures in Cosmic Microwave Background (CMB) anisotropies and large-scale structure formation, offering potential avenues for empirical verification. This work aims to deepen the understanding of cosmological asymmetries and highlight the significance of quantum entanglement in the universe’s evolution. Full article
(This article belongs to the Section Astrophysics, Cosmology, and Black Holes)
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<p>Evolution of the scale factor <math display="inline"><semantics> <mrow> <mi>a</mi> <mo>(</mo> <mi>t</mi> <mo>)</mo> </mrow> </semantics></math> with and without QEA contributions, normalized by the Hubble parameter <span class="html-italic">H</span>. The blue line represents the model including QEA effects, while the red dashed line represents the standard cosmological model without QEA.</p>
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<p>CMB temperature anisotropies from Planck satellite data. The blue points with error bars represent the observed data from the Planck 2018 release. The red line corresponds to the QEA model predictions, while the black line represents the standard cosmological model.</p>
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12 pages, 2818 KiB  
Article
Missed Detection of Entanglement in Two-Mode Squeezed States Based on the Inseparability Criterion
by Chunxiao Cai, Wenting Diao, Fupan Feng, Wenhai Yang, Xinyu Su, Weigang Zhao, Jinman Ge, Long Ma, Nan Huo, Yanhong Liu and Chongdi Duan
Appl. Sci. 2025, 15(3), 1013; https://doi.org/10.3390/app15031013 - 21 Jan 2025
Viewed by 393
Abstract
The inseparability criterion provides a straightforward and efficient method for identifying and quantifying two-mode Gaussian quantum entanglement, making it a crucial tool in quantum optics experiments. However, it is crucial to recognize that the inseparability criterion serves only as a sufficient condition for [...] Read more.
The inseparability criterion provides a straightforward and efficient method for identifying and quantifying two-mode Gaussian quantum entanglement, making it a crucial tool in quantum optics experiments. However, it is crucial to recognize that the inseparability criterion serves only as a sufficient condition for entanglement assessment, thereby posing a risk of missed detection during evaluation. This paper investigates the use of the inseparability criterion in assessing two-mode squeezed states, with a particular focus on examining missed entanglement detection due to entanglement asymmetry. The results show that when decoherence symmetrically affects both modes, the inseparability criterion effectively detects entanglement. In contrast, when this symmetry is broken, the criterion may fail to identify entanglement, with the likelihood of missed detection increasing with increasing asymmetry. By comparing these results with the positive partial transpose criterion, which serves as a necessary and sufficient condition, the occurrence of missed detections by the inseparability criterion is confirmed. Our research not only provides valuable insights into the application of the inseparability criterion in quantum information tasks but also deepens the understanding of its operational principles and limitations. Full article
(This article belongs to the Special Issue Quantum Optics: Theory, Methods and Applications)
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<p>The diagram illustrates the asymmetry of a two-mode squeezed state, where the asymmetry of the associated orthogonal components and the asymmetry of the entanglement modes are significantly manifested in the preparation and transmission stages, respectively.</p>
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<p>Region plots illustrating the impact of entanglement asymmetry on entanglement criteria. (<b>a</b>) Asymmetry in correlated orthogonal components: with <math display="inline"><semantics> <mrow> <mi>n</mi> <mo>=</mo> <mi>m</mi> <mo>=</mo> <mn>3</mn> </mrow> </semantics></math>, the entanglement criterion is shown as it evolves with respect to <math display="inline"><semantics> <mrow> <msub> <mover accent="true"> <mi>c</mi> <mo stretchy="false">˜</mo> </mover> <mn>1</mn> </msub> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mover accent="true"> <mi>c</mi> <mo stretchy="false">˜</mo> </mover> <mn>2</mn> </msub> </mrow> </semantics></math>; (<b>b</b>) asymmetry in entanglement modes: with <math display="inline"><semantics> <mrow> <msub> <mover accent="true"> <mi>c</mi> <mo stretchy="false">˜</mo> </mover> <mn>1</mn> </msub> <mo>=</mo> <mo>−</mo> <msub> <mover accent="true"> <mi>c</mi> <mo stretchy="false">˜</mo> </mover> <mn>2</mn> </msub> <mo>=</mo> <mrow> <mn>1</mn> <mo stretchy="true">/</mo> <mrow> <msqrt> <mn>2</mn> </msqrt> </mrow> </mrow> </mrow> </semantics></math>, the evolution of the entanglement criterion is depicted with respect to <math display="inline"><semantics> <mi>n</mi> </semantics></math> and <math display="inline"><semantics> <mi>m</mi> </semantics></math>. The orange area represents the entanglement region defined by the inseparability criterion, while the blue area delineates the entanglement range according to the PPT criterion. The green area indicates un-physical covariance matrices.</p>
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<p>Schematic of the experiment. NOPA: non-degenerate optical parametric amplifier; MC1: mode cleaner; MC2: mode cleaner; HWP: half-wave plate; PBS: polarizing beamsplitter; DBS: dichroic beamsplitter.</p>
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<p>Measured entanglement spectrum at an analysis frequency of 2 MHz with the inseparability criterion.</p>
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<p>Experimental results of entanglement decoherence in lossy channel. (<b>a</b>) Symmetric lossy channel; (<b>b</b>) asymmetric lossy channel.</p>
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<p>Effect of channel attenuation on the inseparability criterion for mixed entanglement state: (<b>a</b>) symmetric lossy channel; (<b>b</b>) asymmetric lossy channel.</p>
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15 pages, 2686 KiB  
Article
Quantum-Chemical Investigations on the Structure and Stability of Mixed Trimers Containing HC3N in Combination with H2C2 and/or HCN Analyzed by QTAIM, NBO and SAPT Methods
by Andrea Pietropolli Charmet, Paolo Stoppa, Alessandra De Lorenzi and Patrizia Canton
Symmetry 2025, 17(1), 140; https://doi.org/10.3390/sym17010140 - 18 Jan 2025
Viewed by 507
Abstract
The present work deals with the computational study of HC3N··HCN··H2C2-, (HC3N)2··H2C2-, and HC3N··(H2C2 [...] Read more.
The present work deals with the computational study of HC3N··HCN··H2C2-, (HC3N)2··H2C2-, and HC3N··(H2C2)2-mixed trimers. The different equilibrium structures of the different low-lying minima on the corresponding potential energy surface (PES) were accurately determined, and the relative stabilities were computed by extrapolation procedures to the complete basis set limit. For each mixed trimer, the non-covalent interactions ruling the structure of the most stable isomer were analyzed using the QTAIM (Quantum Theory of Atoms in Molecules) approach. Additional insights into these interactions were provided by the Natural Bond Orbital (NBO) and Symmetry-Adapted Perturbation Theory (SAPT) methods. These results can be used to assist further theoretical investigations and experimental studies on the formation of larger molecules potentially relevant in astrochemistry. Full article
(This article belongs to the Special Issue Chemistry: Symmetry/Asymmetry—Feature Papers and Reviews)
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<p>The structures of the nine isomers of HC<sub>3</sub>N<math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>H<sub>2</sub>C<sub>2</sub><math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>HCN-mixed trimers (the blue color is employed for the nitrogen atom) are shown; the label and the number in parenthesis refer to the different isomer and its relative electronic energy (in kcal mol<sup>−1</sup>, 0 for the lowest energy structure) computed using the jun-ChS extrapolation scheme (see the text for details).</p>
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<p>QTAIM topological analysis of the most stable isomer of HC<sub>3</sub>N<math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>H<sub>2</sub>C<sub>2</sub><math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>HCN. The two arrows highlight the presence of two attractive (3,−1) critical points labeled CP1 and CP2; see the text for details.</p>
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<p>The seven lowest-energy isomers of (HC<sub>3</sub>N)<sub>2</sub><math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>H<sub>2</sub>C<sub>2</sub>-mixed trimers (the blue color is employed for the nitrogen atom) are shown; the label and number in parenthesis refer to the different isomer and its relative electronic energy (in kcal mol<sup>−1</sup>, 0.0 for the structure with the lowest energy) computed using the jun-ChS extrapolation scheme (see the text for details).</p>
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<p>QTAIM topological analysis of the most stable isomer of (HC<sub>3</sub>N)<sub>2</sub><math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>H<sub>2</sub>C<sub>2</sub>. The arrows highlight the presence of three (3,−1) attractive critical points, labeled as CP1, CP2, and CP3, and one (3,+1) ring critical point, labeled as RCP; see the text for details.</p>
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<p>The isomers of HC<sub>3</sub>N<math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>(H<sub>2</sub>C<sub>2</sub>)<sub>2</sub>-mixed trimers (where the blue color is employed for the nitrogen atom) are shown; the letter and the number in parenthesis refer to the different isomer and its relative electronic energy (in kcal mol<sup>−1</sup>, 0.0 for the structure with the lowest energy) computed using the jun-ChS extrapolation scheme (see the text for details).</p>
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<p>QTAIM topological analysis of the most stable isomer of HC<sub>3</sub>N<math display="inline"><semantics> <mrow> <mo>·</mo> <mo>·</mo> </mrow> </semantics></math>(H<sub>2</sub>C<sub>2</sub>)<sub>2</sub>. The arrows highlight the presence of three (3,−1) attractive critical points, labeled as CP1, CP2, and CP3, and one (3,+1) ring critical point, labeled as RCP; see the text for details.</p>
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18 pages, 7744 KiB  
Article
High-Performance Carrier Phase Recovery for Local Local Oscillator Continuous-Variable Quantum Key Distribution
by Jiayu Ma, Chao Zhou, Dengke Qi, Ziyang Chen, Yongmei Sun, Song Yu and Xiangyu Wang
Symmetry 2025, 17(1), 139; https://doi.org/10.3390/sym17010139 - 18 Jan 2025
Viewed by 585
Abstract
Continuous-variable quantum key distribution (CV-QKD) has been increasingly studied, which offers the advantage of compatibility with modern coherent optical communication systems. In contrast to CV-QKD with a transmitting local oscillator, the local local oscillator CV-QKD avoids the security vulnerabilities of a local oscillator [...] Read more.
Continuous-variable quantum key distribution (CV-QKD) has been increasingly studied, which offers the advantage of compatibility with modern coherent optical communication systems. In contrast to CV-QKD with a transmitting local oscillator, the local local oscillator CV-QKD avoids the security vulnerabilities of a local oscillator by generating a local oscillator at the receiver. In practice, the frequency offset of the two lasers introduces extra phase noise, which is generally suppressed by various carrier phase recovery algorithms. However, the accuracy of carrier phase recovery can be influenced by the power of the pilot tone, particularly as the transmission distance increases. To further improve accuracy, we propose a method based on the unscented particle filter algorithm, to increase the accuracy of phase estimation, effectively restore the quantum signal and reduce excess noise. In our work, we demonstrated a local local oscillator CV-QKD experiment with a finite-size block of 1×108 under a transmission distance of 50 km. Through our method, we achieved a secret key rate of 525 kbps, which represents a 28% improvement. These results confirm that our proposed method not only improves the accuracy of carrier phase recovery, but also provides a new approach for future research on algorithms for long-distance CV-QKD. Furthermore, our study improves the phase compensation performance, enabling the orthogonal components of the quantum signal to exhibit enhanced symmetry in phase space. Full article
(This article belongs to the Section Physics)
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Figure 1
<p>Process of the UPF algorithm.</p>
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<p>Experimental scheme of LLO CV-QKD with a 50 km fiber. DAC, digital-to-analog converter; IQ modulator, in phase/quadrature modulator; VOA, optical variable attenuator; MPC, manual polarization controller; BS, beam splitter; BHD, balanced homodyne detector.</p>
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<p>Functional relationship between excess noise and parameters <span class="html-italic">Q</span> and <span class="html-italic">R</span>. (<b>a</b>) Experimental excess noise (SNU) levels as a function of parameter <span class="html-italic">Q</span>. The blue solid line represents parameter <math display="inline"><semantics> <msub> <mi>R</mi> <mn>1</mn> </msub> </semantics></math> = 0.01; The red solid line represents parameter <math display="inline"><semantics> <msub> <mi>R</mi> <mn>2</mn> </msub> </semantics></math> = 0.02; The purple solid line represents parameter <math display="inline"><semantics> <msub> <mi>R</mi> <mn>3</mn> </msub> </semantics></math> = 0.03. (<b>b</b>) Experimental excess noise (SNU) levels as a function of parameter <span class="html-italic">R</span>. The blue solid line represents parameter <math display="inline"><semantics> <msub> <mi>Q</mi> <mn>1</mn> </msub> </semantics></math> = 0.018; The red solid line represents parameter <math display="inline"><semantics> <msub> <mi>Q</mi> <mn>2</mn> </msub> </semantics></math> = 0.019; The purple solid line represents parameter <math display="inline"><semantics> <msub> <mi>Q</mi> <mn>3</mn> </msub> </semantics></math> = 0.020.</p>
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<p>The relationship between excess noise, secret key rates, and particle numbers in UPF and PF. (<b>a</b>) Experimental excess noise as a function of particle number <span class="html-italic">N</span>. The black and red dashed lines represent the trend of excess noise with respect to particle number <span class="html-italic">N</span> under the PF and UPF algorithms, respectively. (<b>b</b>) Experimental secret key rates as a function of particle number <span class="html-italic">N</span>. The blue and orange dashed lines represent the trend of secret key rates with respect to particle number <span class="html-italic">N</span> under the PF and UPF algorithms, respectively.</p>
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<p>Comparison of experimental secret key rates and excess noise levels after UPF with particle number <span class="html-italic">N</span> = 10 and PF with particle number <span class="html-italic">N</span> = 20. The upper marks represent secret key rates, while the lower marks indicate excess noise levels. The initial mean excess noise is approximately 0.0157 SNU, the mean excess noise after PF with is about 0.010 SNU, and the mean excess noise after UPF with is about 0.005 SNU.</p>
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<p>Pilot tone’s phase variation before and after UPF. The purple dots indicate the pilot tone’s phase before UPF, while the red dots represent the phase after UPF.</p>
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<p>The secret key rates and excess noise before and after UPF compensation. (<b>a</b>) Before UPF compensation, the secret key rates and excess noise obtained through parameter estimation, denoted the means as <math display="inline"><semantics> <mrow> <mi>S</mi> <mi>K</mi> <msub> <mi>R</mi> <mn>1</mn> </msub> </mrow> </semantics></math> and <math display="inline"><semantics> <msub> <mi>ε</mi> <mn>1</mn> </msub> </semantics></math>. (<b>b</b>) After UPF compensation, the secret key rates and excess noise obtained through parameter estimation, denoted the means as <math display="inline"><semantics> <mrow> <mi>S</mi> <mi>K</mi> <msub> <mi>R</mi> <mn>2</mn> </msub> </mrow> </semantics></math> and <math display="inline"><semantics> <msub> <mi>ε</mi> <mn>2</mn> </msub> </semantics></math>.</p>
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<p>The secret key rates as a function of transmission distance. The solid lines of different colors represent the relationships under an infinite-size block, while the dashed lines correspond to a finite-size block. The red star-shaped markers indicate experimental results. The parameters used include the following: the modulation variance is <math display="inline"><semantics> <msub> <mi>V</mi> <mi>A</mi> </msub> </semantics></math> = 4.01 SNU, the quantum efficiency <math display="inline"><semantics> <mi>η</mi> </semantics></math> = 0.481, the reconciliation efficiency is <math display="inline"><semantics> <mi>β</mi> </semantics></math> = 0.95, the electronic noise is <math display="inline"><semantics> <msub> <mi>v</mi> <mrow> <mi>e</mi> <mi>l</mi> </mrow> </msub> </semantics></math> = 0.0272 SNU, the excess noise is 0.0048 SNU. For the blue diamond markers, all parameters remain the same except for the excess noise, which is 0.0157 SNU.</p>
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10 pages, 216 KiB  
Article
Issues in the Expansion and Contraction of Operators
by Mukhtarbay Otelbaev, Abdukhali Shynybekov and Karlygash Dosmagulova
Symmetry 2025, 17(1), 117; https://doi.org/10.3390/sym17010117 - 14 Jan 2025
Viewed by 360
Abstract
This paper explores fundamental issues in the correct contraction and expansion of operators, with a primary focus on the concept of symmetry within operator theory. Special attention is given to how symmetry influences the behavior of operators, particularly regarding their approximation and convergence [...] Read more.
This paper explores fundamental issues in the correct contraction and expansion of operators, with a primary focus on the concept of symmetry within operator theory. Special attention is given to how symmetry influences the behavior of operators, particularly regarding their approximation and convergence properties. In the domains of quantum mechanics and condensed matter physics, such operators are essential for modeling phenomena like superconductivity, excitons, and surface states. The symmetric properties of operators have a profound impact on the physical interpretations and predictions these models generate. A rigorous analysis is provided regarding the existence of correct contractions and expansions for a specific class of nonlinear operators, demonstrating how symmetry affects the structural integrity of operators under natural conditions. The study presents a comprehensive description of the set of all correct contractions, expansions, and regular expansions, with an application to a third-order nonlinear differential expression. Additionally, a condition for the unique solvability of a Bitsadze–Samarskii-type problem is derived, showcasing how symmetry plays a crucial role in guiding the solution of complex physical models. Furthermore, the paper emphasizes the importance of preserving symmetry in the construction of operators, ensuring the consistency and accuracy of mathematical models. This has significant implications for both theoretical research and practical applications in various fields, including nuclear physics and quantum theory. Full article
(This article belongs to the Section Mathematics)
12 pages, 426 KiB  
Article
Gauge Covariance of the Gap Equation: From the Rainbow Truncation to Gauge Symmetry Constraints
by Bruno El-Bennich
Symmetry 2025, 17(1), 110; https://doi.org/10.3390/sym17010110 - 12 Jan 2025
Viewed by 641
Abstract
The gauge covariance of the quark gap equation is compared for the case of three different quark–gluon vertices: the bare vertex, a Ball–Chiu-like vertex constrained by the corresponding Slavnov–Taylor identity, and a full vertex including the transverse components derived from transverse Slavnov–Taylor identities. [...] Read more.
The gauge covariance of the quark gap equation is compared for the case of three different quark–gluon vertices: the bare vertex, a Ball–Chiu-like vertex constrained by the corresponding Slavnov–Taylor identity, and a full vertex including the transverse components derived from transverse Slavnov–Taylor identities. The covariance properties are verified with the chiral quark condensate and the pion decay constant in the chiral limit. Full article
(This article belongs to the Special Issue Chiral Symmetry, and Restoration in Nuclear Dense Matter)
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<p>Gauge-parameter dependence of the <math display="inline"><semantics> <mrow> <msub> <mi>M</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mi>Z</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> functions of light quarks (<math display="inline"><semantics> <mrow> <msub> <mi>m</mi> <mi>u</mi> </msub> <mo>=</mo> <msub> <mi>m</mi> <mi>d</mi> </msub> </mrow> </semantics></math>) in the rainbow truncation of the DSE. Note that the strong coupling is large: <math display="inline"><semantics> <mrow> <msubsup> <mi>α</mi> <mi>s</mi> <mn>0</mn> </msubsup> <mo>=</mo> <mn>1.0</mn> </mrow> </semantics></math>.</p>
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<p>The gauge-parameter dependence of <math display="inline"><semantics> <mrow> <msub> <mi>M</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mi>Z</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> of the light quark employing the STI Ball–Chiu vertex, Equations (<a href="#FD6-symmetry-17-00110" class="html-disp-formula">6</a>) to (<a href="#FD9-symmetry-17-00110" class="html-disp-formula">9</a>), in the DSE (<a href="#FD1-symmetry-17-00110" class="html-disp-formula">1</a>).</p>
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<p><math display="inline"><semantics> <mrow> <msub> <mi>M</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mi>Z</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> as functions of the gauge parameter <math display="inline"><semantics> <mi>ξ</mi> </semantics></math> DSE (<a href="#FD1-symmetry-17-00110" class="html-disp-formula">1</a>) of the light quarks when the DSE (<a href="#FD1-symmetry-17-00110" class="html-disp-formula">1</a>) is solved with the full STI vertex <math display="inline"><semantics> <mrow> <msubsup> <mo>Γ</mo> <mi>μ</mi> <mi>ξ</mi> </msubsup> <mrow> <mo>(</mo> <mi>k</mi> <mo>,</mo> <mi>p</mi> <mo>)</mo> </mrow> </mrow> </semantics></math>, Equations (<a href="#FD6-symmetry-17-00110" class="html-disp-formula">6</a>) to (<a href="#FD17-symmetry-17-00110" class="html-disp-formula">17</a>).</p>
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<p>Gauge dependence of the chiral quark condensate obtained with two different quark–gluon vertices in the DSE. The pink-, green-, and blue-shaded error bands stem from the statistical errors of the lattice QCD predictions for the gluon and ghost propagators [<a href="#B24-symmetry-17-00110" class="html-bibr">24</a>] on which the gauge-dependent solutions of <math display="inline"><semantics> <mrow> <msub> <mi>A</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> and <math display="inline"><semantics> <mrow> <msub> <mi>B</mi> <mi>ξ</mi> </msub> <mrow> <mo>(</mo> <msup> <mi>p</mi> <mn>2</mn> </msup> <mo>)</mo> </mrow> </mrow> </semantics></math> depend via Equations (<a href="#FD1-symmetry-17-00110" class="html-disp-formula">1</a>) and (<a href="#FD2-symmetry-17-00110" class="html-disp-formula">2</a>). The pink horizontal band indicates the region of a gauge-independent quark condensate as implied by the LKFTs in QCD, where the uncertainty is due to the statistical error of the gauge propagators in Landau gauge.</p>
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<p>Gauge dependence of the pion decay constant for two different quark–gluon vertices in the DSE (<a href="#FD1-symmetry-17-00110" class="html-disp-formula">1</a>). The error estimates represented by the green and blue bands are as in <a href="#symmetry-17-00110-f004" class="html-fig">Figure 4</a>, while the horizontal pink line represents the experimental reference value.</p>
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17 pages, 4522 KiB  
Article
The Temperature-Dependent Tight Binding Theory Modelling of Strain and Composition Effects on the Electronic Structure of CdSe- and ZnSe-Based Core/Shell Quantum Dots
by Derya Malkoç and Hilmi Ünlü
Materials 2025, 18(2), 283; https://doi.org/10.3390/ma18020283 - 10 Jan 2025
Viewed by 507
Abstract
We propose a temperature-dependent optimization procedure for the second-nearest neighbor (2NN) sp3s* tight-binding (TB) theory parameters to calculate the effects of strain, structure dimensions, and alloy composition on the band structure of heterostructure spherical core/shell quantum dots (QDs). We integrate [...] Read more.
We propose a temperature-dependent optimization procedure for the second-nearest neighbor (2NN) sp3s* tight-binding (TB) theory parameters to calculate the effects of strain, structure dimensions, and alloy composition on the band structure of heterostructure spherical core/shell quantum dots (QDs). We integrate the thermoelastic theory of solids with the 2NN sp3s* TB theory to calculate the strain, core and shell dimensions, and composition effects on the band structure of binary/ternary CdSe/Cd(Zn)S and ZnSe/Zn(Cd)S QDs at any temperature. We show that the 2NN sp3s* TB theory with optimized parameters greatly improves the prediction of the energy dispersion curve at and in the vicinity of L and X symmetry points. We further used the optimized 2NN sp3s* TB parameters to calculate the strain, core and shell dimensions, and composition effects on the nanocrystal bandgaps of binary/ternary CdSe/Cd(Zn)S and ZnSe/Zn(Cd)S core/shell QDs. We conclude that the 2NN sp3s* TB theory provides remarkable agreement with the measured nanocrystal bandgaps of CdSe/Cd(Zn)S and ZnSe/Zn(Cd)S QDs and accurately reproduces the energy dispersion curves of the electronic band structure at any temperature. We believe that the proposed optimization procedure makes the 2NN sp3s* TB theory reliable and accurate in the modeling of core/shell QDs for nanoscale devices. Full article
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Graphical abstract
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<p>Band diagrams of type I (<b>left</b>) and type II (<b>right</b>) heterostructures.</p>
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<p>A schematic representation of spherical core/shell QD. The outer part (<span class="html-italic">a</span> &lt; <span class="html-italic">r</span> &lt; <span class="html-italic">b</span>) is defined as shell and the inner part (0 &lt; <span class="html-italic">r</span> &lt; <span class="html-italic">a</span>) is defined as core.</p>
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<p>The strain effect on (<b>left</b>) the core and (<b>right</b>) the shell side of CdSe/Cd(Zn)S and ZnSe/Zn(Cd)S QDs due to core diameter for each quantum dot.</p>
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<p>The strain effects in CdSe- (<b>left</b>) and ZnSe-(<b>right</b>) based QDs with di = 3.0 nm at 300 K.</p>
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<p>The strain and lattice constant variation with composition in the cores of (<b>left</b>) ZnSe/CdZnS and CdSe/CdZnS; and (<b>right</b>) ZnSe/CdZnSe and CdSe/CdZnSe QDs for core diameter di = 3.0 nm at 300 K.</p>
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<p>A comparison of the band structure of bulk CdSe and ZnSe compounds at T = 0 K, calculated by using the 2NN <span class="html-italic">sp</span><sup>3</sup><span class="html-italic">s</span>* TBM and 2NN <span class="html-italic">sp</span><sup>3</sup> tight-binding theories.</p>
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<p>A comparison of the band structure of the bulk CdSe and ZnSe compounds at T = 0 K, calculated by using 2NN <span class="html-italic">sp</span><sup>3</sup><span class="html-italic">s</span>* TB theory with optimized parameters and <span class="html-italic">k.p</span> effective mass approximation.</p>
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<p>The band structure of bulk CdSe at T = 0 K, 300 K, 600 K, calculated by using the optimized tight-binding parameters in the 2NN <span class="html-italic">sp</span><sup>3</sup><span class="html-italic">s</span>* TB theory (<b>a</b>). A magnified view of the lowest conduction-band structure in (<b>b</b>) indicates a larger shift in the bandgap at high symmetry points.</p>
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<p>The band structure of bulk ZnSe at T = 0 K, 300 K, 600 K, calculated by using the optimized tight-binding parameters in the frame of 2NN <span class="html-italic">sp</span><sup>3</sup><span class="html-italic">s</span>* TB theory (<b>a</b>). A magnified view of the lowest conduction-band structure in (<b>b</b>) indicates a larger shift in the bandgap at high symmetry points.</p>
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<p>The core (<b>a</b>) and shell (<b>b</b>) diameter variations in the nanocrystal bandgap energies of four QDs, determined from Equations (3) and (4) at 300 K.</p>
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<p>The composition effect on the bandgap energies at the Γ, L, and X symmetry points for (<b>a</b>) CdSe/CdZnS and (<b>b</b>) ZnSe/CdZnSe, QDs with di = 3.0 nm at T = 300 K.</p>
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