Physics of the Solid State最新文献

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Structural, Electronic, and Thermoelectric of Half-Heusler Alloys XHfSb (X = Co and Rh) Using First Principles Calculations 用第一性原理计算半heusler合金XHfSb (X = Co和Rh)的结构、电子和热电性能
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-16 DOI: 10.1134/S1063783425602954
K. D. Ajayi, P. O. Adebambo, J. O. Akinlami, I. O. Olowookere, M. O. Omeike
{"title":"Structural, Electronic, and Thermoelectric of Half-Heusler Alloys XHfSb (X = Co and Rh) Using First Principles Calculations","authors":"K. D. Ajayi,&nbsp;P. O. Adebambo,&nbsp;J. O. Akinlami,&nbsp;I. O. Olowookere,&nbsp;M. O. Omeike","doi":"10.1134/S1063783425602954","DOIUrl":"10.1134/S1063783425602954","url":null,"abstract":"<p>This study presents a comprehensive density functional theory (DFT) examination of CoHfSb and RhHfSb Heusler alloys, elucidating their structural, electronic, and thermoelectric properties. Utilizing Quantum ESPRESSO and Thermo_pw, optimized lattice constants reveal a semiconducting nature with computed band gap energies of 0.78 eV (CoHfSb) and 0.81 eV (RhHfSb). Exceptional thermoelectric performance is demonstrated through Figures of Merit (ZT) values: 0.74 (<i>n</i>-type) and 0.99 (<i>p</i>-type) for CoHfSb, and 0.78 (<i>n</i>-type) and 0.99 (<i>p</i>-type) for RhHfSb. Indirect band gaps are confirmed by non-aligned valence and conduction band edges. These findings underscore the significant potential of CoHfSb and RhHfSb for efficient thermoelectric applications, particularly in energy harvesting and power generation.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 2","pages":"202 - 209"},"PeriodicalIF":1.8,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Defects in Kesterite Type Compounds: Analysis Based on the Results of Transport Investigations Kesterite型化合物中的缺陷:基于输运研究结果的分析
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-16 DOI: 10.1134/S1063783425604138
Erkki Lähderanta, E. Hajdeu-Chicarosh, Ernest Arushanov, K. G. Lisunov
{"title":"Defects in Kesterite Type Compounds: Analysis Based on the Results of Transport Investigations","authors":"Erkki Lähderanta,&nbsp;E. Hajdeu-Chicarosh,&nbsp;Ernest Arushanov,&nbsp;K. G. Lisunov","doi":"10.1134/S1063783425604138","DOIUrl":"10.1134/S1063783425604138","url":null,"abstract":"<p>Interest to the Cu-based kesterite type compounds, as Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS) and related materials, is connected to their promising photovoltaic properties, permitting to regard them as a new generation of materials for solar cells, containing mainly low-cost, low-toxic and abundant components. Experimental investigations of their electronic transport during the last decade, including resistivity and magnetoresistance, permitted to collect important data on the electronic properties of these materials. Among them is the concentration of acceptors, connected to the Cu<sub>Zn</sub> antisites. In this work, we propose a model to analyze the concentration of such defects, capable to yield interesting information on other types of defects in kesterites. A detailed analysis based on this model is performed in Cu<sub>2</sub>Zn<sub>1–<i>x</i></sub>Cd<sub><i>x</i></sub>SnS<sub>4</sub>, Cu<sub>2</sub>ZnSn<sub><i>x</i></sub>Ge<sub>1–<i>x</i></sub>S<sub>4</sub>, and Cu<sub>2</sub>ZnGeSe<sub>4</sub> single crystals, as well as in CZTS powders and thin films. The data on such defects as Zn atoms outside the Zn sublattice, on the Sn<sub>Zn</sub> and Ge<sub>Zn</sub> antisites, as well as on the vacancies in the Zn sublattice, have been obtained.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 2","pages":"117 - 126"},"PeriodicalIF":1.8,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Screening of the Coulomb Field of an Impurity Ion on the Electrical Conductivity of a Two-Dimensional Electron Gas in a Semi-Parabolic Quantum Well 杂质离子的库仑场筛选对半抛物型量子阱中二维电子气体电导率的影响
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-16 DOI: 10.1134/S1063783425603716
H. I. Huseynov, Z. A. Jahangirli, A. P. Abdullayev, M. M. Mahmudov
{"title":"Effect of Screening of the Coulomb Field of an Impurity Ion on the Electrical Conductivity of a Two-Dimensional Electron Gas in a Semi-Parabolic Quantum Well","authors":"H. I. Huseynov,&nbsp;Z. A. Jahangirli,&nbsp;A. P. Abdullayev,&nbsp;M. M. Mahmudov","doi":"10.1134/S1063783425603716","DOIUrl":"10.1134/S1063783425603716","url":null,"abstract":"<p>The effect of screening of the Coulomb potential of impurity ions on the electrical conductivity (EC) of a two-dimensional degenerate electron gas in a semi-parabolic quantum well is studied. The dependences of EC on the quantum well parameters, such as the width and potential of the quantum well, and also on the conduction electron concentration, and the number of subbands in the case of scattering by distant and background impurity ions are determined. It is established that, as the quantum well width decreases, EC increases significantly in the case of scattering by background ions and increases in the magnitude and, changing the sign, becomes negative in the case of distant ions. This increase is due to the effect of electron localization and a decrease in the electron scattering. It is found that, as the quantum well potential increases, the relative EC increases in magnitude and becomes negative in the case of scattering by distant ions and increases linearly without change in the sign in the case of scattering by background ions. As the conduction electron concentration increases, EC increases, and it increases the faster the higher is the potential. In the case of scattering by distant impurity ions, EC becomes negative at small numbers of the subbands, and the EC magnitude increases as the number of the subbands increases. In the case of scattering by background ions, EC is shown to have a minimum at small numbers of the subbands, and it increases monotonically as the number of the subbands increases.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 2","pages":"127 - 133"},"PeriodicalIF":1.8,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical Investigation of the Structural, Electronic, Magnetic, and Mechanical Properties of the Full-Heusler Alloy Co2MnGa Co2MnGa全heusler合金结构、电子、磁性和力学性能的理论研究
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-16 DOI: 10.1134/S1063783425602681
Walid Bendjeddou, Mohamed Tourab, Zeyneb Bordjiba, Rabie Amraoui, Salim Kadri, Amor Bouaricha, Salah Aguib, Rahmaoui F. E Zakaria
{"title":"Theoretical Investigation of the Structural, Electronic, Magnetic, and Mechanical Properties of the Full-Heusler Alloy Co2MnGa","authors":"Walid Bendjeddou,&nbsp;Mohamed Tourab,&nbsp;Zeyneb Bordjiba,&nbsp;Rabie Amraoui,&nbsp;Salim Kadri,&nbsp;Amor Bouaricha,&nbsp;Salah Aguib,&nbsp;Rahmaoui F. E Zakaria","doi":"10.1134/S1063783425602681","DOIUrl":"10.1134/S1063783425602681","url":null,"abstract":"<p>In this study, we employed density functional theory (DFT) to explore the full-Heusler alloy Co<sub>2</sub>MnGa, focusing on its structural, electronic, magnetic, mechanical, and thermoelectric properties. Using the full-potential linearized augmented plane wave (FP-LAPW) method with the WIEN2K code and generalized gradient approximation (GGA), we achieved a detailed understanding of Co<sub>2</sub>MnGa. The calculated equilibrium structural parameters including the lattice constant and bulk modulus are in excellent agreement with existing theoretical and experimental data, validating the computational methods used. Electronic structure calculations reveal metallic behavior in the majority spin states and a narrow band gap in the minority spin states, confirming its semi-metallic nature. The alloy exhibits a Seebeck coefficient of 30 µV/K at 300 K and a peak power factor of 0.8 mW/m K<sup>2</sup> at 900 K, indicating its potential for thermoelectric applications. The spin-wave stiffness constant (<i>D</i>) is 2.796 meV Å<sup>2</sup>, and the Curie temperature (<i>T</i><sub>C</sub>) is 776.928 K, suggesting strong ferromagnetic characteristics. Mechanical properties, including elastic constants, bulk modulus, and Young’s modulus, show that Co<sub>2</sub>MnGa maintains stability under various pressures and exhibits anisotropic behavior with a Zener anisotropy factor greater than 1. These results highlight that Co<sub>2</sub>MnGa is a promising alloy for applications in thermoelectric devices and magnetic materials, offering a strong foundation for future experimental and applied research.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 2","pages":"164 - 171"},"PeriodicalIF":1.8,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Compact Maintenance-Free 35 Tesla Pulse Magnetic Field Setup Powered by Mains Electricity 一个紧凑的免维护35特斯拉脉冲磁场装置供电电源
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-16 DOI: 10.1134/S1063783425604126
E. A. Fadeev, M. A. Chakhov, A. Sedda, E. Lahderanta
{"title":"A Compact Maintenance-Free 35 Tesla Pulse Magnetic Field Setup Powered by Mains Electricity","authors":"E. A. Fadeev,&nbsp;M. A. Chakhov,&nbsp;A. Sedda,&nbsp;E. Lahderanta","doi":"10.1134/S1063783425604126","DOIUrl":"10.1134/S1063783425604126","url":null,"abstract":"<p>This article reports on the pulsed magnetic field setup designed and built to measure galvanomagnetic properties of materials in the temperature range of 2.2–310 K. The measurement system employs a six-probe method with one current and two voltage pairs. A pulse magnetic field of up to 35 T, with a recorded pulse duration of about 12 ms, is generated by discharging the capacitors’ bank through the multiturn copper solenoid. Voltage between probes is recorded using three separate measurement channels in an analog-to-digital converter featuring ∼1 µs conversion time. In one magnetic field pulse, the magnetoresistance and Hall curves are measured at specific temperature and polarities of the magnetic field and current. Measurement data processing and post-processing are implemented using programs that were written specifically for this setup, which led to the high automation level of the measuring process. Maintenance-free operation, compact size, low consumption of cryogenic liquid, and usage of only mains electricity are the main advantages of the setup. The feasibility and applicability of the setup have been proven by 14 published peer-reviewed articles.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 2","pages":"179 - 190"},"PeriodicalIF":1.8,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Role of Bismuth and Strontium A-Site Dopants on the Structural Evolution of Sol-Gel Derived Barium Titanate 铋和锶a位掺杂剂在溶胶-凝胶法制备钛酸钡结构演变中的作用
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-16 DOI: 10.1134/S1063783425603236
Nabiya Iqbal, Anju Dixit, Pramod S Dobal
{"title":"Role of Bismuth and Strontium A-Site Dopants on the Structural Evolution of Sol-Gel Derived Barium Titanate","authors":"Nabiya Iqbal,&nbsp;Anju Dixit,&nbsp;Pramod S Dobal","doi":"10.1134/S1063783425603236","DOIUrl":"10.1134/S1063783425603236","url":null,"abstract":"<p>In this study, the doping of barium titanate was done by bismuth and strontium individually. The aim of the work was to emphasise the structural modifications that occur as a result of the incorporation of the dopants into the system of barium titanate. Sol-gel was the method of synthesis for the materials. The chemical formula used was <span>({text{B}}{{{text{a}}}_{{1 - x}}}{{{text{Y}}}_{x}}{text{Ti}}{{{text{O}}}_{3}})</span>, where Y represents the two dopants bismuth and strontium and <i>x</i> was varied as 0, 0.05, 0.075, 0.10, and 0.15. The thermogravimetric analysis (TGA) curve, along with its first order derivative curve, indicated that the formation of the material and the stabilisation of the phase was around 900°C. Doping of barium titanate resulted in certain structural distortions, which have been discussed in terms of the defects introduced by the dopants in the system of barium titanate, the impact of their ionic radii on its crystal structure, and the varying values of the tolerance factor. These structural distortions were also experimentally supported by the X-ray diffraction (XRD) data obtained. Factors such as the ionic radii and oxidation state of the two dopants favour that when both are individually added to barium titanate, they are more inclined towards the A-site of the ABO<sub>3</sub> perovskite structure of barium titanate.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 2","pages":"191 - 201"},"PeriodicalIF":1.8,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparative Analysis of In0.15Ga0.85N and β-Ga2O3 Back Barriers in β-Ga2O3-Buffered AlGaN/GaN HEMT Structures for High-Speed RF Electronics 高速射频电子用β-Ga2O3缓冲AlGaN/GaN HEMT结构中In0.15Ga0.85N和β-Ga2O3背势垒的比较分析
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-02 DOI: 10.1134/S1063783425603339
K. Ferents Koni Jiavana, J. K. Kasthuri Bha, S. Kayalvizhi, Ramkumar Natarajan
{"title":"Comparative Analysis of In0.15Ga0.85N and β-Ga2O3 Back Barriers in β-Ga2O3-Buffered AlGaN/GaN HEMT Structures for High-Speed RF Electronics","authors":"K. Ferents Koni Jiavana,&nbsp;J. K. Kasthuri Bha,&nbsp;S. Kayalvizhi,&nbsp;Ramkumar Natarajan","doi":"10.1134/S1063783425603339","DOIUrl":"10.1134/S1063783425603339","url":null,"abstract":"<p>This paper presents a detailed comparative analysis of β-Ga<sub>2</sub>O<sub>3</sub>-buffered Al<sub>0.25</sub>Ga<sub>0.75</sub>N/GaN high electron mobility transistors (HEMTs) incorporating two distinct back barrier configurations: In<sub>0.15</sub>Ga<sub>0.85</sub>N and a unified β-Ga<sub>2</sub>O<sub>3</sub> layer. The devices are evaluated under two gate metal work functions (ϕₘ = 4.3  and 5.6  eV) to examine their influence on device performance. DC and RF characteristics, including drain current (<i>I</i><sub>D</sub>), transconductance (<i>g</i>ₘ), and unity current gain cutoff frequency ( <i>f</i><sub>T</sub>), are extracted at a drain bias of 20  V. The β-Ga<sub>2</sub>O<sub>3</sub> back barrier device demonstrates superior performance, achieving higher peak drain current densities of 6  A/mm (ϕₘ = 4.3  eV) and 5.63  A/mm (ϕₘ = 5.6  eV), compared to 3.9  and 3.6  A/mm, respectively, for the InGaN counterpart. A significant shift in threshold voltage (<i>V</i><sub>th</sub>) is observed with the β‑Ga<sub>2</sub>O<sub>3</sub> barrier, indicating enhanced channel control. Moreover, transconductance values exceeded 1  S/mm, and peak <i>f</i><sub>T</sub> values approached 1.45 × 10<sup>11</sup>  Hz, underscoring the advantages of β-Ga<sub>2</sub>O<sub>3</sub> in high‑speed applications. The ON-resistance (<i>R</i><sub>on</sub>) analysis shows that the β-Ga<sub>2</sub>O<sub>3</sub> back barrier device achieved a minimum <i>R</i><sub>on</sub> of 0.28 Ω mm (ϕₘ = 4.3  eV), compared to 0.55  Ω mm for the InGaN back barrier. The results establish that both the gate work function and back barrier selection critically impact the electron confinement, threshold behavior, and high-frequency response of GaN-based HEMTs on β-Ga<sub>2</sub>O<sub>3</sub> substrates.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 1","pages":"50 - 63"},"PeriodicalIF":1.8,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146099076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Application of a Low-Energy High-Current Electron Beam for Modification of the Surface of Steel Alloyed by the Electro-Explosive Method 低能大电流电子束在电爆法合金钢表面改性中的应用
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-02 DOI: 10.1134/S1063783425603509
A. V. Ionina
{"title":"Application of a Low-Energy High-Current Electron Beam for Modification of the Surface of Steel Alloyed by the Electro-Explosive Method","authors":"A. V. Ionina","doi":"10.1134/S1063783425603509","DOIUrl":"10.1134/S1063783425603509","url":null,"abstract":"<p>Modification of carbon steel surface edges using electro-explosive alloying (EEA) and subsequent treatment with a pulsed electron beam is discussed. The research shows that the combined use of these technologies leads to significant improvements in the material’s performance characteristics, such as microhardness and wear resistance. During the experiments, the optimal electron beam energy density and number of pulses have been determined, making it possible to achieve maximum microhardness values exceeding those of the uncoated steel. Changes in the surface structure, including the formation of microcracks and dendritic crystallization, are also analyzed. The results show that the proper selection of processing parameters improves the physicochemical properties of the steel, making this technology promising for use in various industries.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 1","pages":"77 - 82"},"PeriodicalIF":1.8,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146099064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
InSe/GaSe Nanoheterostructures Synthesized by Laser Ablation in a Liquid Medium 激光烧蚀在液体介质中合成InSe/GaSe纳米异质结构
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-02 DOI: 10.1134/S1063783425601845
V. M. Salmanov, A. G. Guseinov, M. A. Jafarov, G. B. Ibragimov, R. M. Mamedov
{"title":"InSe/GaSe Nanoheterostructures Synthesized by Laser Ablation in a Liquid Medium","authors":"V. M. Salmanov,&nbsp;A. G. Guseinov,&nbsp;M. A. Jafarov,&nbsp;G. B. Ibragimov,&nbsp;R. M. Mamedov","doi":"10.1134/S1063783425601845","DOIUrl":"10.1134/S1063783425601845","url":null,"abstract":"<p>The absorption and luminescence spectra of InSe and GaSe nanoparticles and InSe/GaSe and GaSe/InSe nanoheterostructures based on them synthesized by laser ablation in a liquid are studied experimentally. A pulsed Nd:YAG-laser with built-in generators of the second and third harmonics intended for generation of radiation with wavelengths 1064, 532, and 335 nm is used as the radiation source. The ablation is carried out in a quartz cell with distilled water using the Nd:YAG laser with wavelength λ = 1064 nm, pulse duration 10 ns, pulse energy 135 mJ, and pulse repetition frequency 10 Hz for ~10 min. The energy-gap widths of the InSe and GaSe nanoparticles are calculated by the Tauc method. InSe/GaSe and GaSe/InSe semiconductor/semiconductor nanoheterostructures are shown to form on the base of InSe and GaSe nanoparticles in nanoparticle bulks. The methods of synthesis of semiconductor core/shell nanoparticles in a solution are discussed.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 1","pages":"36 - 40"},"PeriodicalIF":1.8,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146099067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of Structural, Electronic, and Optical Properties of ASnO3 (A = Ba, Ca, Sr, and Mg) Perovskite Oxides for the Optoelectronic Applications 光电子用ASnO3 (A = Ba, Ca, Sr,和Mg)钙钛矿氧化物的结构、电子和光学性质研究
IF 1.8 4区 物理与天体物理
Physics of the Solid State Pub Date : 2026-02-02 DOI: 10.1134/S1063783425601286
Younes Elalaoui, Achraf Benbella, Touria Lachhab, Asmaa Drighil, Rhma Adhiri
{"title":"Investigation of Structural, Electronic, and Optical Properties of ASnO3 (A = Ba, Ca, Sr, and Mg) Perovskite Oxides for the Optoelectronic Applications","authors":"Younes Elalaoui,&nbsp;Achraf Benbella,&nbsp;Touria Lachhab,&nbsp;Asmaa Drighil,&nbsp;Rhma Adhiri","doi":"10.1134/S1063783425601286","DOIUrl":"10.1134/S1063783425601286","url":null,"abstract":"<p>Advances in materials engineering have demonstrated the high stability and low toxicity of tin-based perovskites, presenting an excellent lead-free alternative. Consequently, an ab initio study was conducted to investigate the structural, electronic, and optical properties of the tin-based perovskite oxides ASnO<sub>3</sub> (A = Ba, Ca, Sr, and Mg). These properties were examined using the Quantum Espresso Simulation Package (QE) with the GGA functional. The structural parameters showed highly consistent results with previous experimental and theoretical findings. The electronic calculations for BaSnO<sub>3</sub>, CaSnO<sub>3</sub>, SrSnO<sub>3</sub>, and MgSnO<sub>3</sub> revealed semiconductor characteristics with indirect bandgaps of 3.12, 3.07, 3.2, and 0.95 eV, respectively. The total and partial densities of the states confirmed the localization of electrons within various bands. Analysis of the ASnO<sub>3</sub> optical properties indicated significant absorption behavior and weak reflection performance. Overall, these tin-based perovskite oxides hold outstanding potential as materials for the electronic industry, particularly in optoelectronic applications.</p>","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"68 1","pages":"1 - 11"},"PeriodicalIF":1.8,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146099062","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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