Physica Status Solidi B-basic Solid State Physics最新文献

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Magneto‐Spectroscopy of Interlayer Excitons in Transition‐Metal Dichalcogenide Heterostructures 过渡金属二卤化物异质结构中的层间激子磁谱学
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-06-21 DOI: 10.1002/pssb.202400079
Johannes Holler, Malte Selig, Dmitry S. Smirnov, Michael Kempf, Jonas Zipfel, Philipp Nagler, Manuel Katzer, Florian Katsch, Mariana V. Ballottin, Anatolie A. Mitioglu, Alexey Chernikov, Peter C. M. Christianen, Christian Schüller, Andreas Knorr, Tobias Korn
{"title":"Magneto‐Spectroscopy of Interlayer Excitons in Transition‐Metal Dichalcogenide Heterostructures","authors":"Johannes Holler, Malte Selig, Dmitry S. Smirnov, Michael Kempf, Jonas Zipfel, Philipp Nagler, Manuel Katzer, Florian Katsch, Mariana V. Ballottin, Anatolie A. Mitioglu, Alexey Chernikov, Peter C. M. Christianen, Christian Schüller, Andreas Knorr, Tobias Korn","doi":"10.1002/pssb.202400079","DOIUrl":"https://doi.org/10.1002/pssb.202400079","url":null,"abstract":"Transition‐metal dichalcogenide (TMD) monolayers are direct‐gap semiconductors with peculiar spin–valley coupling. Combining two different TMDs can lead to a type‐II band alignment and formation of interlayer excitons (ILE). In MoSe<jats:sub>2</jats:sub>–WSe<jats:sub>2</jats:sub> heterobilayers, optically bright ILE are only observable if the interlayer twist angle is close to 0° (aligned, R‐type) or 60° (anti‐aligned, H‐type). Herein, low‐temperature optical spectroscopy studies of these ILE in high magnetic fields are presented. Depending on interlayer twist, ILE transitions are either valley conserving or between different valleys. This allows engineering of the ILE g factor, changing its magnitude and even its sign. Additionally, applied magnetic fields induce a valley polarization of the ILE, and its buildup can directly be observed in helicity‐ and time‐resolved photoluminescence, with peculiar features due to the dependence of ILE optical selection rules on interlayer registry. For both, R‐type and H‐type structures, it is found that at 24 Tesla, the valley polarization is resonantly enhanced, even though their g factors are markedly different. This observation hints at a scattering process involving single carriers within the ILE and zone‐boundary acoustic phonons.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141527479","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
Strain‐Induced Selective Active Gas Sensor Based on Fe‐Loaded Black Phosphorus 基于铁载黑磷的应变诱导选择性活性气体传感器
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-06-21 DOI: 10.1002/pssb.202400011
Zongyu Huang, Xi Chen, Chaobo Luo, Shenrui Zhang, Yongxiang Cui, Gencai Guo, Jianxin Zhong, Xiang Qi
{"title":"Strain‐Induced Selective Active Gas Sensor Based on Fe‐Loaded Black Phosphorus","authors":"Zongyu Huang, Xi Chen, Chaobo Luo, Shenrui Zhang, Yongxiang Cui, Gencai Guo, Jianxin Zhong, Xiang Qi","doi":"10.1002/pssb.202400011","DOIUrl":"https://doi.org/10.1002/pssb.202400011","url":null,"abstract":"The possibility of Fe loaded on BP (Fe@BP) as an efficient gas sensor for the detection of toxic gases such as NO<jats:sub>2</jats:sub>, NO, and CO is studied by the first‐principles calculation, and it is proposed that Fe@BP is an excellent gas‐sensitive material. The adsorption behaviors of gases on Fe@BP were analyzed in terms of adsorption configurations and electronic properties. It is found that all gases adsorbed on Fe@BP exhibit significantly enhanced interactions, and the adsorption intensity is much larger than that of molecules adsorbed on the surface of pure BP. Fe@BP has high selectivity for toxic and ambient gas molecules. In addition, the adsorption strength of NO<jats:sub>2</jats:sub> and NO molecules on Fe@BP increases after compression strain is applied (within −3%), while the adsorption strength of CO decreases gradually. After the tensile strain is applied, the adsorption intensity of NO<jats:sub>2</jats:sub> and NO is decreased, but that of CO is increased gradually. It is speculated that the strain causes changes in the electronic structure, which affects the adsorption behavior. The adsorption of NO has a stronger strain sensitivity. For these reasons, Fe@BP with high adsorption strength and strain selection is the ideal gas‐sensitive material.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141527480","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
Large Area Epitaxial Lateral Overgrowth of Semipolar (11¯$1 left(right. macr left.right)$01) GaN Stripes on Patterned Si Substrates Prepared using Maskless Lithography 在使用无掩模光刻技术制备的图案化硅衬底上大面积外延侧向生长半极性(11¯$1 (left(right. macr (left.right)$01)氮化镓条带
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-06-21 DOI: 10.1002/pssb.202400071
Naofumi Takeda, Masahiro Uemukai, Tomoyuki Tanikawa, Ryuji Katayama
{"title":"Large Area Epitaxial Lateral Overgrowth of Semipolar (11¯$1 left(right. macr left.right)$01) GaN Stripes on Patterned Si Substrates Prepared using Maskless Lithography","authors":"Naofumi Takeda, Masahiro Uemukai, Tomoyuki Tanikawa, Ryuji Katayama","doi":"10.1002/pssb.202400071","DOIUrl":"https://doi.org/10.1002/pssb.202400071","url":null,"abstract":"Selective area growth and epitaxial lateral overgrowth (ELOG) of semipolar (101) GaN stripes are demonstrated on a trench patterned vicinal (001) Si substrate fabricated by a maskless photolithography‐based process. High precision alignment enables selective mask formation to one sidewall of the trench. Selective area growth of GaN stripes is conducted from the (111) plane sidewall of Si, and ELOG region reaches ≈13 μm. The ELOG GaN crystal is dislocation‐free at most areas. The semipolar GaN stripes with atomically flat surface morphology are uniformly obtained. Light‐emitting diode structures with InGaN/GaN multiple quantum wells are grown on the 13‐μm ELOG (101) GaN stripes and a single photoluminescence emission peaked at 485 nm is obtained, suggesting potential for the cost‐effective semipolar micro light‐emitting diode fabrication technologies.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141532286","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 Ferromagnet/Organic Semiconductor Interface Defect States on Tunnel Magnetoresistance of Hybrid Magnetic Tunnel Junctions 铁磁体/有机半导体界面缺陷态对混合磁性隧道结隧道磁阻的影响
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-06-21 DOI: 10.1002/pssb.202400059
Yadlapalli Sujatha, Abhishek Pahuja, Debajit Deb
{"title":"Effect of Ferromagnet/Organic Semiconductor Interface Defect States on Tunnel Magnetoresistance of Hybrid Magnetic Tunnel Junctions","authors":"Yadlapalli Sujatha, Abhishek Pahuja, Debajit Deb","doi":"10.1002/pssb.202400059","DOIUrl":"https://doi.org/10.1002/pssb.202400059","url":null,"abstract":"Herein, analytical modeling of Fe<jats:sub>3</jats:sub>O<jats:sub>4</jats:sub>/<jats:italic>x</jats:italic>(≈1.1 nm)/Co (<jats:italic>x</jats:italic> = rubrene, C<jats:sub>60</jats:sub>, and bathocuproine (BCP)) magnetic tunnel junctions (MTJs) has been performed using rubrene, C<jats:sub>60</jats:sub>, and BCP as organic spacer layers. The simulation is considered as nonequilibrium Green's function assuming spin precession at ferromagnet/organic semiconductor (FM/OSC) interface defect states. The voltage‐dependent resistances for both parallel (<jats:italic>R</jats:italic><jats:sub>P</jats:sub>) and antiparallel (<jats:italic>R</jats:italic><jats:sub>AP</jats:sub>) orientations have been observed to be dependent on spin injection from FM/OSC defect states. Pinning well‐dependent defect state depths have been associated with band misalignment‐induced lattice distortion at FM/OSC interface of the devices. The large tunnel magnetoresistance (TMR) response for rubrene‐based MTJ device has been attributed to a higher change of FM/OSC defect state depths with voltage. High TMR may have reduced spin torque‐dependent spin precession, leading to lower spin transfer torque for the rubrene device. Hence, engineering of defect states at the FM/OSC interface may lead to the successful realization of enhanced TMR in organic spacer MTJs for high‐performance spintronic memory applications.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141527478","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
The Influence of Alloy Disorder Effects on the Anisotropy of Emission Diagrams in (Al,Ga)N Quantum Wells Embedded into AlN Barriers 合金杂乱效应对嵌入氮化铝势垒的(Al,Ga)N 量子阱发射图各向异性的影响
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-05-31 DOI: 10.1002/pssb.202400215
Alexandra Ibanez, Mathieu Leroux, Nikita Nikitskiy, Wilfried Desrat, Matthieu Moret, Pierre Valvin, Guillaume Cassabois, Julien Brault, Bernard Gil, Fumiya Chugenji, Kirihara Taiga, Muhamad Ajmal Khan, Hideki Hirayama
{"title":"The Influence of Alloy Disorder Effects on the Anisotropy of Emission Diagrams in (Al,Ga)N Quantum Wells Embedded into AlN Barriers","authors":"Alexandra Ibanez, Mathieu Leroux, Nikita Nikitskiy, Wilfried Desrat, Matthieu Moret, Pierre Valvin, Guillaume Cassabois, Julien Brault, Bernard Gil, Fumiya Chugenji, Kirihara Taiga, Muhamad Ajmal Khan, Hideki Hirayama","doi":"10.1002/pssb.202400215","DOIUrl":"https://doi.org/10.1002/pssb.202400215","url":null,"abstract":"The polarized photoluminescence emitted on the edge of a series of aluminum‐rich (Al,Ga)N‐AlN quantum wells (QWs) grown by molecular beam epitaxy on AlN templates deposited by metal organic chemical vapor deposition on c‐plane sapphire is measured. The contrast and the principal axis of the emission diagrams for 2 nm‐thick (Al,Ga)N QWs grown for aluminum compositions between 40% and 90% are studied. The light is emitted on the edge of the QWs at wavelengths going from 280 nm down to 209 nm. The emission diagram, a change from oblate to prolate with respect to the in‐plane orientation, for an aluminum composition is found to occur around 72%, that is, at an emission wavelength of about 235 nm. The orientations and shapes of the edge‐emission diagrams indicate that the fluctuations of the composition of the (Al,Ga)N confining layer are deep enough for producing intravalence band mixings. This property, that acts in concert with the built‐in strain and quantum‐confined Stark effect, contributes to the anisotropy of the light emission when the aluminum composition reaches 60–70%, that is, for an emission wavelength of 260–235 nm.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141196570","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
Structural Correlation of the Glass‐Forming Ability in a Cu–Zr‐Based Metallic Glass: A Molecular Dynamics Study Cu-Zr 基金属玻璃中玻璃成型能力的结构相关性:分子动力学研究
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-05-31 DOI: 10.1002/pssb.202400100
Meryem Kbirou, Salma Trady, Imad Achik, M'hammed Mazroui
{"title":"Structural Correlation of the Glass‐Forming Ability in a Cu–Zr‐Based Metallic Glass: A Molecular Dynamics Study","authors":"Meryem Kbirou, Salma Trady, Imad Achik, M'hammed Mazroui","doi":"10.1002/pssb.202400100","DOIUrl":"https://doi.org/10.1002/pssb.202400100","url":null,"abstract":"The Cu–Zr‐based metallic glasses (MGs) have recently sparked great attention due to their outstanding properties and their improved glass‐forming ability (GFA). Therefore, a molecular dynamics study is performed to investigate the effect of composition on the structural analysis methods including the radial distribution function, Voronoi analysis, and coordination number of three Cu‐Zr‐Al alloys to predict the system having the much higher GFA. The <jats:italic>T–V</jats:italic> curves during the cooling process involve transitioning the liquid state to the glassy state, demonstrating that and are good glass formers. The findings reveal that the splitting of the second peak in the radial distribution function at results in more pronounced one. It is also indicated that with increasing Al content, the system undergoes a decrease toward the CN. Additionally, higher Al content contributes to the higher content of the full icosahedra as well as the distorted icosahedra, consequently, higher GFA. These structures, demonstrate various modes of linkage including vertex sharing, edge sharing, face sharing, and interpenetrating sharing, resulting in more dense atomic packing. Finally, strong correlations between the atomic compositions with the structural properties are shown, which can help to predict the much higher GFA system.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141196609","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 Growth Temperature on Strain during Growth and Crack Suppression in AlGaN Templates on Sapphire Substrates for Deep Ultraviolet Light‐Emitting Diodes 生长温度对用于深紫外发光二极管的蓝宝石基底上氮化铝模板生长过程中的应变和裂纹抑制的影响
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-05-29 DOI: 10.1002/pssb.202400063
Tomoaki Kachi, Hayata Takahata, Ryunosuke Oka, Hisanori Ishiguro, Tetsuya Takeuchi, Satoshi Kamiyama, Motoaki Iwaya, Yoshiki Saito, Koji Okuno
{"title":"Effect of Growth Temperature on Strain during Growth and Crack Suppression in AlGaN Templates on Sapphire Substrates for Deep Ultraviolet Light‐Emitting Diodes","authors":"Tomoaki Kachi, Hayata Takahata, Ryunosuke Oka, Hisanori Ishiguro, Tetsuya Takeuchi, Satoshi Kamiyama, Motoaki Iwaya, Yoshiki Saito, Koji Okuno","doi":"10.1002/pssb.202400063","DOIUrl":"https://doi.org/10.1002/pssb.202400063","url":null,"abstract":"The crack formations in AlGaN templates for deep ultraviolet (DUV) light‐emitting diodes (LEDs) are investigated and successfully suppressed. The strain values in AlGaN thick layers on sapphire substrates by in situ wafer curvature measurements and ex situ X‐ray diffraction measurements are evaluated. It is found that the tensile strain during the AlGaN thick layer growth comes from a thermal expansion difference between the AlGaN thick layer and the sapphire substrate as the temperature changes from the AlN nucleation layer growth to the AlGaN thick layer growth. When the temperature change is 100 °C and less, the tensile strain of 0.1% and less is observed during the AlGaN thick layer growth, resulting in no crack formations in the AlGaN thick layer. Furthermore, a DUV LED layer structure grown on such a crack‐free AlGaN template shows no crack formations. Thus, to suppress crack formation in templates fabricated for DUV LEDs, their growth temperature must be optimized by considering thermal expansions caused by the changes in the growth temperature from the nucleation layer to the thick layer.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141196573","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
Crystal Quality and Efficiency Engineering of InGaN‐Based Red Light‐Emitting Diodes 基于 InGaN 的红色发光二极管的晶体质量和效率工程
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-05-28 DOI: 10.1002/pssb.202400034
Mikhail Rudinsky, Kirill Bulashevich
{"title":"Crystal Quality and Efficiency Engineering of InGaN‐Based Red Light‐Emitting Diodes","authors":"Mikhail Rudinsky, Kirill Bulashevich","doi":"10.1002/pssb.202400034","DOIUrl":"https://doi.org/10.1002/pssb.202400034","url":null,"abstract":"This article is aimed at understanding of the complex design of metalorganic chemical vapour deposition ‐grown InGaN‐based red light‐emitting diode (LED) structure. The contribution of different elements of red LED structure to the stress distribution and threading dislocation density (TDD) evolution is theoretically investigated. For this purpose a self‐consistent modeling of the structure growth process is used, taking into account stress‐modulated indium incorporation, mismatch stress relaxation by threading dislocations and V‐pits, and nucleation of new threading dislocations. The simulation results, consisting of composition, stress, and TDD profiles, are then utilized for modeling of device operation, which allows to analyze contribution of different elements to the heterostructure operation.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141196571","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
Nonlinear Optical Second Harmonic Generation Characteristics in Cylindrical GaAs/Ga1–ηAlηAs Quantum Dots 圆柱形 GaAs/Ga1-ηAlηAs 量子点的非线性光学二次谐波发生特性
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-05-26 DOI: 10.1002/pssb.202400136
Xiaolong Yan, Xuechao Li, Yawen Cai, Xing Wang
{"title":"Nonlinear Optical Second Harmonic Generation Characteristics in Cylindrical GaAs/Ga1–ηAlηAs Quantum Dots","authors":"Xiaolong Yan, Xuechao Li, Yawen Cai, Xing Wang","doi":"10.1002/pssb.202400136","DOIUrl":"https://doi.org/10.1002/pssb.202400136","url":null,"abstract":"This article theoretically examines the effect of various variables on the second harmonic generation (SHG) coefficients of cylindrical GaAs/Ga<jats:sub>1–<jats:italic>η</jats:italic></jats:sub>Al<jats:sub><jats:italic>η</jats:italic></jats:sub>As quantum dots. The iterative approach and the compact‐density matrix method have been utilized to determine the expression of the SHG coefficient. The outcomes demonstrate that the variation of the SHG coefficient is closely related to structural parameters, external conditions, and incident photon energy.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141150520","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
Insight into Cr Alloying on Face‐Centered Cubic to Body‐Centered Cubic Phase Transition in FeCr Alloy 铬合金化对铁铬合金中面心立方到体心立方相变的启示
IF 1.6 4区 物理与天体物理
Physica Status Solidi B-basic Solid State Physics Pub Date : 2024-05-26 DOI: 10.1002/pssb.202400158
Hao Yang, Jin‐Han Yang, Ming‐Hui Cai, Shuai Tang, Han Ma, Nan Jia, Yan‐Dong Liu, Xiang Zhao, Hai‐Le Yan, Liang Zuo
{"title":"Insight into Cr Alloying on Face‐Centered Cubic to Body‐Centered Cubic Phase Transition in FeCr Alloy","authors":"Hao Yang, Jin‐Han Yang, Ming‐Hui Cai, Shuai Tang, Han Ma, Nan Jia, Yan‐Dong Liu, Xiang Zhao, Hai‐Le Yan, Liang Zuo","doi":"10.1002/pssb.202400158","DOIUrl":"https://doi.org/10.1002/pssb.202400158","url":null,"abstract":"Effects of Cr alloying on phase stability, magnetism, and electronic structures in both body‐centered cubic (bcc) and face‐centered cubic (fcc) phases and on the transformation from fcc to bcc are studied by first‐principles calculations. Results show that the doped Cr atoms in fcc and bcc phases choose distinct occupation models. This phenomenon can be understood from the amount of electron density of states close to Fermi energy. For magnetism, Cr tends to be antiferromagnetically coupled with the surrounding Fe in the studied phases. The magnetic moment of Fe is greater than that of Cr in bcc, but the order is reversed in fcc. The moment of Fe is dictated by the distance between it and the doped Cr in bcc, whereas it is dominated by spatial orientation with Cr in fcc. For phase stability, it is found that the alloying of Cr prefers destabilizing bcc while tends to stabilize fcc, leading to a strong inhibition of phase transition from fcc to bcc. Notably, the role in the fcc phase is more prominent than that in bcc, which can be associated with the antiferromagnetism between Fe and Cr in fcc.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141150501","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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