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Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume)

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A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Electronic Materials".

Deadline for manuscript submissions: 20 July 2025 | Viewed by 7334

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Special Issue Editor

Prof. Dr. Artur Chrobak

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Guest Editor

Department of Solid State Physics, Institute of Physics, University of Silesia, 75-Pułku Piechoty 1A, 40-500 Chorzów, Poland
Interests: magnetic and related properties of amorphous, nanocrystalline, and composite materials; solid state physics
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Special Issue Information

Dear Colleagues,

Modern materials are a source of technology progress in many areas. There are well known applications in electronics, energetics (including the green technologies), motor and car industry. For example, modern soft magnetic materials as a core of transformers or electric motors cause a significant increase of their energetic efficiency, saving energy in a global meaning. On the other hand, the hard magnetic materials are widely used in computer and energetic technologies as data storage media and high-efficiency electric generators, respectively. Between this two groups, one can observe a family of magnetic materials with excellent properties for broad application spectra (sensors, actuators, energy harvesting devices, magnetic refrigerators etc.). Other interesting property is electric transport in solids giving new conducting and semiconducting materials for modern electronic and computing machines. In this aspect, it is worth to mention topological insulators which sims to be a future for high efficiency electronic devices.

The progress in magnetic materials, not restricted to the mention above groups, would not be possible without basic science including technology, characterization and modeling in the atomic as well as large scale level. Such researches are useful for designing new systems with unique properties required for different applications.

The special issue entitled “Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume)” refers to reviews and/or original research papers in the broad area of materials characterized by some unique features, leading to new application spectra.

It is my pleasure to invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are welcome.

Prof. Dr. Artur Chrobak
Guest Editor

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

magnetism
magnetic materials
electric transport
electronic structure
intermetallic compounds
mechanical properties
materials simulations

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Published Papers (5 papers)

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Research

14 pages, 7106 KiB

Open AccessArticle

Numerical Investigation and Device Architecture Optimization of Sb₂Se₃ Thin-Film Solar Cells Using SCAPS-1D

by Chung-Kuan Lai and Yi-Cheng Lin

Materials 2024, 17(24), 6203; https://doi.org/10.3390/ma17246203 - 19 Dec 2024

Viewed by 213

Abstract

Antimony selenide (Sb₂Se₃) shows promise for photovoltaics due to its favorable properties and low toxicity. However, current Sb₂Se₃ solar cells exhibit efficiencies significantly below their theoretical limits, primarily due to interface recombination and non-optimal device architectures. This study presents a comprehensive numerical investigation of Sb₂Se₃ thin-film solar cells using SCAPS-1D simulation software, focusing on device architecture optimization and interface engineering. We systematically analyzed device configurations (substrate and superstrate), hole-transport layer (HTL) materials (including NiOx, CZTS, Cu₂O, CuO, CuI, CuSCN, CZ-TA, and Spiro-OMeTAD), layer thicknesses, carrier densities, and resistance effects. The substrate configuration with molybdenum back contact demonstrated superior performance compared with the superstrate design, primarily due to favorable energy band alignment at the Mo/Sb₂Se₃ interface. Among the investigated HTL materials, Cu₂O exhibited optimal performance with minimal valence-band offset, achieving maximum efficiency at 0.06 μm thickness. Device optimization revealed critical parameters: series resistance should be minimized to 0–5 Ω-cm² while maintaining shunt resistance above 2000 Ω-cm². The optimized Mo/Cu₂O(0.06 μm)/Sb₂Se₃/CdS/i-ZnO/ITO/Al structure achieved a remarkable power conversion efficiency (PCE) of 21.68%, representing a significant improvement from 14.23% in conventional cells without HTL. This study provides crucial insights for the practical development of high-efficiency Sb₂Se₃ solar cells, demonstrating the significant impact of device architecture optimization and interface engineering on overall performance. Full article

(This article belongs to the Special Issue Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume))

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13 pages, 572 KiB

Open AccessArticle

High Spin Magnetic Moments in All-3d-Metallic Co-Based Full Heusler Compounds

by Murat Tas, Kemal Özdoğan, Ersoy Şaşıoğlu and Iosif Galanakis

Materials 2023, 16(24), 7543; https://doi.org/10.3390/ma16247543 - 7 Dec 2023

Cited by 2 | Viewed by 1321

Abstract

We conduct ab-initio electronic structure calculations to explore a novel category of magnetic Heusler compounds, comprising solely

3 d

transition metal atoms and characterized by high spin magnetic moments. Specifically, we focus on Co

_{2} Y Z

Heusler compounds, where Y and Z [...] Read more.

We conduct ab-initio electronic structure calculations to explore a novel category of magnetic Heusler compounds, comprising solely

3 d

transition metal atoms and characterized by high spin magnetic moments. Specifically, we focus on Co

_{2} Y Z

Heusler compounds, where Y and Z represent transition metal atoms such that the order of the valence is Co > Y > Z. We show that these compounds exhibit a distinctive region of very low density of minority-spin states at the Fermi level when crystallizing in the

L 2_{1}

lattice structure. The existence of this pseudogap leads most of the studied compounds to a Slater–Pauling-type behavior of their total spin magnetic moment. Co

_{2}

FeMn is the compound that presents the largest total spin magnetic moment in the unit cell reaching a very large value of 9

μ_{B}

. Our findings suggest that these compounds are exceptionally promising materials for applications in the realms of spintronics and magnetoelectronics. Full article

(This article belongs to the Special Issue Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume))

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11 pages, 5754 KiB

Open AccessArticle

Modeling of Severe Plastic Deformation by HSHPT of As-Cast Ti-Nb-Zr-Ta-Fe-O Gum Alloy for Orthopedic Implant

by Dan Cătălin Bîrsan, Carmela Gurău, Florin-Bogdan Marin, Cristian Stefănescu and Gheorghe Gurău

Materials 2023, 16(8), 3188; https://doi.org/10.3390/ma16083188 - 18 Apr 2023

Viewed by 1247

Abstract

The High Speed High Pressure Torsion (HSHPT) is the severe plastic deformation method (SPD) designed for the grain refinement of hard-to-deform alloys, and it is able to produce large, rotationally complex shells. In this paper, the new bulk nanostructured Ti-Nb-Zr-Ta-Fe-O Gum metal was investigated using HSHPT. The biomaterial in the as-cast state was simultaneously compressed up to 1 GPa and torsion was applied with friction at a temperature that rose as a pulse in less than 15 s. The interaction between the compression, the torsion, and the intense friction that generates heat requires accurate 3D finite element simulation. Simufact Forming was employed to simulate severe plastic deformation of a shell blank for orthopedic implants using the advancing Patran Tetra elements and adaptable global meshing. The simulation was conducted by applying to the lower anvil a displacement of 4.2 mm in the z-direction and applying a rotational speed of 900 rpm to the upper anvil. The calculations show that the HSHPT accumulated a large plastic deformation strain in a very short time, leading to the desired shape and grain refinement. Full article

(This article belongs to the Special Issue Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume))

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10 pages, 6071 KiB

Open AccessArticle

Magnetic Anisotropies and Exchange Bias of Co/CoO Multilayers with Intermediate Ultrathin Pt Layers

by Dimitrios I. Anyfantis, Camillo Ballani, Nikos Kanistras, Alexandros Barnasas, Ioannis Tsiaoussis, Georg Schmidt, Evangelos Th. Papaioannou and Panagiotis Poulopoulos

Materials 2023, 16(4), 1378; https://doi.org/10.3390/ma16041378 - 7 Feb 2023

Cited by 2 | Viewed by 1933

Abstract

Co/CoO multilayers are fabricated by means of radio-frequency magnetron sputtering. For the formation of each multilayer period, a Co layer is initially produced followed by natural oxidation. Platinum is used not only as buffer and capping layers, but also in the form of intermediate ultrathin layers to enhance perpendicular magnetic anisotropy. Three samples are compared with respect to the magnetic anisotropies and exchange bias between 4–300 K based on superconducting quantum interference device magnetometry measurements. Two of the multilayers are identical Co/CoO/Pt ones; one of them, however, is grown on a Co/Pt “magnetic substrate” to induce perpendicular magnetic anisotropy via exchange coupling through an ultrathin Pt intermediate layer. The third multilayer is of the form Co/CoO/Co/Pt. The use of a “magnetic substrate” results in the observation of loops with large remanence when the field applies perpendicular to the film plane. The CoO/Co interfaces lead to a significant exchange bias at low temperatures after field cooling. The largest exchange bias was observed in the film with double Co/CoO/Co interfaces. Consequently, significant perpendicular anisotropy coexists with large exchange bias, especially at low temperatures. Such samples can be potentially useful for applications related to spintronics and magnetic storage. Full article

(This article belongs to the Special Issue Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume))

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Figure 1
XRR patterns (up) and film drawings (down) for three Co/CoO/Pt multilayers with different formation and repetitions. The fitted patterns using the GenX code are also shown (continuous thin lines). The patterns of samples B and C have been vertically shifted for clarity of presentation. Full article ">Figure 2
(a) XTEM image of sample A. One may see the Si substrate, native oxide, Pt buffer layer, “magnetic substrate”, Co/CoO/Pt multilayer, and Pt capping layer. (b) A magnified part of (a). (c) Electron diffraction pattern. Full article ">Figure 3
Hysteresis curves of sample A for both in-plane and out-of-plane geometries recorded by SQUID at (a) 300 K, (b) 200 K, (c) 100 K, and (d) 4 K. Full article ">Figure 4
Temperature-dependent magnetization hysteresis loops with the external field applied perpendicular (red circles) and parallel (black squares) to the film plane for sample B. Full article ">Figure 5
Temperature-dependent magnetization hysteresis loops with the external field applied perpendicular (red circles) and parallel (black circles) to the film plane for sample C. Full article ">Figure 6
Temperature-dependent coercivity and exchange bias field for all samples measured with the external field parallel and perpendicular to the film plane. Lines serve as guides to the eye. Full article ">Figure 7
Temperature-dependent normalized saturation magnetizations Ms and remanences Mr along the in-plane (i) or out-of-plane (o) directions. Lines serve as guides to the eye. Full article ">

18 pages, 4408 KiB

Open AccessEditor’s ChoiceArticle

Solid-State Dewetting as a Driving Force for Structural Transformation and Magnetization Reversal Mechanism in FePd Thin Films

by Arkadiusz Zarzycki, Marcin Perzanowski, Michal Krupinski and Marta Marszalek

Materials 2023, 16(1), 92; https://doi.org/10.3390/ma16010092 - 22 Dec 2022

Cited by 4 | Viewed by 1962

Abstract

In this work, the process of solid-state dewetting in FePd thin films and its influence on structural transformation and magnetic properties is presented. The morphology, structure and magnetic properties of the FePd system subjected to annealing at 600 °C for different times were studied. The analysis showed a strong correlation between the dewetting process and various physical phenomena. In particular, the transition between the A1 phase and L1₀ phase is strongly influenced by and inextricably connected with solid-state dewetting. Major changes were observed when the film lost its continuity, including a fast growth of the L1₀ phase, changes in the magnetization reversal behavior or the induction of magnetic spring-like behavior. Full article

(This article belongs to the Special Issue Modeling and Characterization of Materials with Unique Magnetic, Electric and Mechanical Properties (Second Volume))

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