physica status solidi (b)最新文献_第9页

Electronic, Magnetic, and Elastic Features of Quaternary Heusler Alloys: FeVScSb and FeVYSb 第四系Heusler合金的电子、磁性和弹性特性:FeVScSb和FeVYSb

physica status solidi (b) Pub Date : 2023-06-23 DOI: 10.1002/pssb.202300178

I. Bensehil, H. Baaziz, T. Ghellab, Z. Charifi, Ahlem Kolli, N. Guechi

{"title":"Electronic, Magnetic, and Elastic Features of Quaternary Heusler Alloys: FeVScSb and FeVYSb","authors":"I. Bensehil, H. Baaziz, T. Ghellab, Z. Charifi, Ahlem Kolli, N. Guechi","doi":"10.1002/pssb.202300178","DOIUrl":"https://doi.org/10.1002/pssb.202300178","url":null,"abstract":"This study employs density functional theory to investigate the structural, elastic, electronic, and magnetic properties of FeVScSb and FeVYSb Heusler compounds. FeVScSb exhibits ferromagnetic properties in its stable state, whereas FeVYSb displays ferrimagnetic behavior. The obtained elastic constants (Cij) indicate that FeVScSb and FeVYSb possess mechanical stability and ductility, while also displaying a significant degree of elastic anisotropy. The aggregate magnetic moment of said alloys is determined to be equivalent to 3 μB, in accordance with the Slater–Pauling principle. The investigation of the impact of uniform strain on electronic and magnetic characteristics is conducted. The findings indicate that FeVScSb and FeVYSb exhibit semiconductivity within extensive lattice parameter intervals, ranging from 5.84 to 6.60 Å for FeVScSb and from 6.11 to 6.70 Å for FeVYSb. The Heusler compounds FeVScSb and FeVYSb exhibit half‐metallic behavior within a range of lattice parameters. Specifically, FeVScSb displays this behavior when the lattice parameter varies from 6.61 to 6.72 Å, while FeVYSb exhibits half‐metallicity within the range of 6.71–6.81 Å. Under the influence of strain, the magnetic moment retains a constant value of 3 μB. Therefore, the potential for spintronics is promising.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":"141 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77238266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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 CVD Growth of 2D MoS2 on MXene Structures with Photoluminescence Mapping and Fluorescence Lifetime Imaging Microscopy 二维MoS2在MXene结构上CVD生长的光致发光定位和荧光寿命成像显微镜研究

physica status solidi (b) Pub Date : 2023-06-22 DOI: 10.1002/pssb.202300242

Elif Sevgi Sicim, Ozan Aydin, Feridun Ay, Nihan Kosku Perkgöz

{"title":"Investigation of CVD Growth of 2D MoS2 on MXene Structures with Photoluminescence Mapping and Fluorescence Lifetime Imaging Microscopy","authors":"Elif Sevgi Sicim, Ozan Aydin, Feridun Ay, Nihan Kosku Perkgöz","doi":"10.1002/pssb.202300242","DOIUrl":"https://doi.org/10.1002/pssb.202300242","url":null,"abstract":"Molybdenum disulfide (MoS2) and molybdenum carbide (Mo2C) are 2D materials with unique properties that make them suitable for electronic and optoelectronic applications. MoS2 is known for its high optical quantum yield and strong light–matter interaction, while Mo2C has metallic properties and is a member of the relatively new class of 2D materials called MXenes. In this research, a new heterostructure is obtained by growing MoS2 directly on Mo2C for the first time using chemical vapor deposition method. This novel hybrid structure changes the interlayer interaction and excited‐state dynamics, thereby increasing material diversity. The structure is characterized using Raman spectroscopy and atomic force microscopy, while photoluminescence (PL) and fluorescence lifetime imaging microscopy measurements are used to examine exciton motions. This study shows that the thickness of the hybrid structure is directly proportional to the frequency difference between the E2g and A1g modes, and inversely proportional to the PL intensities. The hybrid structure displays distinct exciton transitions due to the metallic effect and a longer fluorescence lifetime when compared to the bare monolayer of MoS2. The introduction of this novel hybrid structure with its optical properties holds great potential in opening up new avenues for optoelectronic device applications.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":"21 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75020480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Computational Understanding of Electronic, Magnetic, Mechanical, Thermoelectric, and Thermodynamic Properties of Rhodium‐Based Full‐Heusler Alloys Rh2MnX (X = Sc, Ti, Zr) 铑基全Heusler合金Rh2MnX (X = Sc, Ti, Zr)的电子、磁性、机械、热电和热力学性质的计算理解

physica status solidi (b) Pub Date : 2023-06-22 DOI: 10.1002/pssb.202300168

Joginder Singh, Astha Singh, Nouf H. Alotaibi, Ghazanfar Nazir, C. Lal, S. Dar

{"title":"A Computational Understanding of Electronic, Magnetic, Mechanical, Thermoelectric, and Thermodynamic Properties of Rhodium‐Based Full‐Heusler Alloys Rh2MnX (X = Sc, Ti, Zr)","authors":"Joginder Singh, Astha Singh, Nouf H. Alotaibi, Ghazanfar Nazir, C. Lal, S. Dar","doi":"10.1002/pssb.202300168","DOIUrl":"https://doi.org/10.1002/pssb.202300168","url":null,"abstract":"The present investigation has been carried to know the magnetic talent, mechanical strength, thermoelectric transport properties, and thermal results on Rh2MnX (X = Sc, Ti, Zr) full‐Heusler alloys. The structural investigation presents these alloys to be stable in 225 (Fm‐3m) cubic space group. Electronic results characterize these alloys as metallic in both spin channels. From elastic data results, these compounds are found to be mechanically stable in cubic space group. The mechanical study shows ductile nature for Rh2MnSc while it is brittle for Rh2MnTi and Rh2MnZr. The large value of bulk modulus for these compounds presents their stiffer resistance. The temperature‐dependent thermoelectric transport properties for these materials are calculated. The increasing nature of Ke/τ for all the three compounds presents their conducting nature. Increasing value of power factor with temperature advocates the use of these materials for high‐temperature thermoelectric devices. All the three materials present a large value of total magnetic moment greater than 4 μB and hence can contribute to advanced magnetic materials. The thermodynamic investigation is carried out using Gibbs2 program.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":"42 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91182890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

First‐Principles Calculation of the Half‐Metallicity in the d0–d Half‐Heusler KCrSb Compound: Novel Material for Energy and Spintronic Applications d0-d半Heusler KCrSb化合物半金属丰度的第一性原理计算:用于能量和自旋电子应用的新材料

physica status solidi (b) Pub Date : 2023-06-22 DOI: 10.1002/pssb.202300024

Samiha Dergal, H. Rached, A. Ait Belkacem, Hanane Saib, Tarik Hadji, Ahmed Azzouz Rached

引用次数: 0

Insights on Elastic Anisotropy and Thermal Properties of Mg–Ti–O Compounds from First‐Principles Calculations 从第一性原理计算对Mg-Ti-O化合物弹性各向异性和热性能的见解

physica status solidi (b) Pub Date : 2023-06-21 DOI: 10.1002/pssb.202300165

Jianwei Ma, Yu Zhang, Zhi-Gang Fan, Q. Wei, Jian‐Ping Zhou

引用次数: 1

Effect of Introducing Defects and Doping on Different Properties of Monolayer MoS2 引入缺陷和掺杂对单层二硫化钼不同性能的影响

physica status solidi (b) Pub Date : 2023-06-20 DOI: 10.1002/pssb.202300017

Kumari Prajakta, V. P. Vinturaj, Rohit Singh, Vivek Garg, S. Pandey, S. K. Pandey

引用次数: 0

Elastic, Optical, and Thermoelectric Properties of 2D Square Lattice and Hexagonal Zinc Chalcogenides under First‐Principles Calculations 二维方形晶格和六边形硫族锌在第一性原理计算下的弹性、光学和热电性质

physica status solidi (b) Pub Date : 2023-06-06 DOI: 10.1002/pssb.202300046

Pankaj Kumar, D. R. Roy

{"title":"Elastic, Optical, and Thermoelectric Properties of 2D Square Lattice and Hexagonal Zinc Chalcogenides under First‐Principles Calculations","authors":"Pankaj Kumar, D. R. Roy","doi":"10.1002/pssb.202300046","DOIUrl":"https://doi.org/10.1002/pssb.202300046","url":null,"abstract":"Herein, elastic, optical, and thermoelectric properties of zinc chalcogenides with 2D square lattice and hexagonal phases [s‐ and h‐ZnX (X = GrVI)] are reported. The s‐ZnX and h‐ZnX structures are achieved to be dynamically stable, according to the phonon dispersion studies. All s‐ and h‐ZnX compounds are found to be semiconductor, with direct and indirect bandgaps ranging from 0.81 to 2.77 eV under PBE and 1.70 to 4.15 eV by HSE06 calculations. The effective mass, mobility, and relaxation time of electron and hole carriers in the band structures of s‐ and h‐ZnX are investigated to gain a better insight of these materials. In addition to the phonon dispersion analysis, their mechanical stability in terms of elastic properties is evaluated, and the resulting elastic parameters validate their mechanical stability. The optical properties of s‐ and h‐ZnX are inspected in the occurrence of field polarizations across parallel and perpendicular directions. At room temperature, s‐ZnTe compound has an optimum figure of merit (ZT) value, indicating it as the superlative thermoelectric material in the entire series. These compounds may also be explored in ultraviolet lasers, solar cells, electronic image displays, high‐density optical memory, photodetectors, and solid‐state laser devices.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":"404 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79748049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, Characterization and Electromagnetic Properties of Ba1.8Sr0.2Co2Fe11.9Pr0.1O22/Ti3C2Tx‐MXene Composites Ba1.8Sr0.2Co2Fe11.9Pr0.1O22/Ti3C2Tx‐MXene复合材料的合成、表征及电磁性能

physica status solidi (b) Pub Date : 2023-06-02 DOI: 10.1002/pssb.202300149

I. Mohammed, J. Mohammed, S. Godara, P. Maji, Pawandeep Kaur, A. K. Srivastava

引用次数: 0

Symmetry‐Based Model Hamiltonians for Topological Analysis of 2D Materials with Square Lattice 基于对称的二维方形晶格材料拓扑分析模型哈密顿量

physica status solidi (b) Pub Date : 2023-06-01 DOI: 10.1002/pssb.202300018

Chani Stella van Niekerk, R. Warmbier

{"title":"Symmetry‐Based Model Hamiltonians for Topological Analysis of 2D Materials with Square Lattice","authors":"Chani Stella van Niekerk, R. Warmbier","doi":"10.1002/pssb.202300018","DOIUrl":"https://doi.org/10.1002/pssb.202300018","url":null,"abstract":"Classes of symmetry‐based model Hamiltonians can be constructed with specific point group restrictions. These models combine the flexibility of tight‐binding models with the analytical simplicity of the Su–Schrieffer–Heeger model and can be scaled in either direction. The applicability of models with two, three, and four bands to topological analysis is investigated and limitations to describing topological behaviour are assessed. The models are applied to fitting density functional theory (DFT) band structures for selected 2D materials with and without spin–orbit coupling. Suitable parameters for selected materials are obtained and used to describe the topological phase of the materials. Based on these results, a single two‐, three‐, and four‐band model is found which describes the band structure and topological properties of all the selected 2D materials. Suitable simplifications to the models are outlined to further illustrate how the analyzability can be scaled with the accuracy of the model. While generally a higher degree of symmetry helps the formation of topological phases, extremely symmetric point groups like D 4h $D_{text{4h}}$ restrict the allowed interactions to a degree that makes topological phases less easy to achieve.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77090887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical Study of Some Properties of High‐Temperature Two‐Band Model Iron‐Based Superconductor Ba1−xRbxFe2As2 高温双带模型铁基超导体Ba1−xRbxFe2As2某些性质的理论研究

physica status solidi (b) Pub Date : 2023-06-01 DOI: 10.1002/pssb.202300160

Derejaw Gardew, G. Kahsay, T. Negussie

{"title":"Theoretical Study of Some Properties of High‐Temperature Two‐Band Model Iron‐Based Superconductor Ba1−xRbxFe2As2","authors":"Derejaw Gardew, G. Kahsay, T. Negussie","doi":"10.1002/pssb.202300160","DOIUrl":"https://doi.org/10.1002/pssb.202300160","url":null,"abstract":"This work focuses on the theoretical investigations of some properties of high‐temperature two‐band model iron‐based superconductor Ba1−xRbxFe2As2. The mathematical expressions of superconducting parameters are treated by the temperature‐dependent Green's function formalism. The superconducting order parameters of the material for electron, hole bands and for the interband are plotted as a function of temperature. The parameters decrease with increasing temperature and vanish at the superconducting transition temperature (Tc) of Ba1−xRbxFe2As2. The values of the superconducting order parameters and coupling strength in electron intraband, hole intraband, and the electron–hole interband are computed quantitatively. It is found that the pairing potential of Ba1−xRbxFe2As2 increases as a function of temperature. The phase diagrams of temperature‐dependent electron and hole intrabands and density of states versus excitation energy are plotted and it is observed that both decrease as the excitation energy increases. The impacts of temperature, pairing potential, and transitional temperature on condensation energy are also investigated and the results show that condensation energy decreases with the increase of temperature and pairing potential and vanishes at Tc of Ba1−xRbxFe2As2. Furthermore, the density of states is plotted for electron and hole‐intrabands at different temperatures versus excitation energy, and it is perceived that the density of states decreased gradually as the excitation energy increases and vanished at low‐temperature values. The current results are compatible with previous findings.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":"25 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82199822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0