高自旋极化材料CoFeXSn(X=Ti,V,Cr)合金的相稳定性、力学、热学性质以及电子结构
TB34; Co基Heusler合金具有高居里温度和高自旋极化率,在自旋电子学器件中表现出潜在的应用前景.通过第一性原理计算研究了CoFeXSn(X=Ti,V,Cr)合金的结构、磁性、机械性能、动力学稳定性和电子结构.研究结果表明,CoFeXSn(X=Ti,V,Cr)合金均以LiMgPbSn型结构结晶并遵循优先占位规则.合金的磁性行为具有明显的分界,Co-Ti/V和Co-Cr合金内部的原子磁矩和磁耦合方式明显不同,但都基本符合Slater-Pauling行为.CoFeTiSn和CoFeVSn合金具有机械稳定性和动力学稳定性,而CoFeCrSn合金的声子谱线却有明显的虚频.电子结构的分析表明这些...
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| Published in | 功能材料 Vol. 54; no. 1; pp. 1159 - 1170 |
|---|---|
| Main Authors | , , |
| Format | Journal Article |
| Language | Chinese |
| Published |
北京科技大学 物理系,北京 100083
03.02.2023
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| Subjects | |
| Online Access | Get full text |
| ISSN | 1001-9731 |
| DOI | 10.3969/j.issn.1001-9731.2023.01.023 |
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| Abstract | TB34; Co基Heusler合金具有高居里温度和高自旋极化率,在自旋电子学器件中表现出潜在的应用前景.通过第一性原理计算研究了CoFeXSn(X=Ti,V,Cr)合金的结构、磁性、机械性能、动力学稳定性和电子结构.研究结果表明,CoFeXSn(X=Ti,V,Cr)合金均以LiMgPbSn型结构结晶并遵循优先占位规则.合金的磁性行为具有明显的分界,Co-Ti/V和Co-Cr合金内部的原子磁矩和磁耦合方式明显不同,但都基本符合Slater-Pauling行为.CoFeTiSn和CoFeVSn合金具有机械稳定性和动力学稳定性,而CoFeCrSn合金的声子谱线却有明显的虚频.电子结构的分析表明这些合金在某一自旋方向上均存在能隙,具有接近于半金属材料的性质. |
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| AbstractList | TB34; Co基Heusler合金具有高居里温度和高自旋极化率,在自旋电子学器件中表现出潜在的应用前景.通过第一性原理计算研究了CoFeXSn(X=Ti,V,Cr)合金的结构、磁性、机械性能、动力学稳定性和电子结构.研究结果表明,CoFeXSn(X=Ti,V,Cr)合金均以LiMgPbSn型结构结晶并遵循优先占位规则.合金的磁性行为具有明显的分界,Co-Ti/V和Co-Cr合金内部的原子磁矩和磁耦合方式明显不同,但都基本符合Slater-Pauling行为.CoFeTiSn和CoFeVSn合金具有机械稳定性和动力学稳定性,而CoFeCrSn合金的声子谱线却有明显的虚频.电子结构的分析表明这些合金在某一自旋方向上均存在能隙,具有接近于半金属材料的性质. |
| Author | 夏中昊 柳祝红 李歌天 |
| AuthorAffiliation | 北京科技大学 物理系,北京 100083 |
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| Author_FL | LIU Zhuhong LI Getian XIA Zhonghao |
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| Author_xml | – sequence: 1 fullname: 李歌天 – sequence: 2 fullname: 夏中昊 – sequence: 3 fullname: 柳祝红 |
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| Keywords | 弹性常数 声子 第一性原理 Heusler合金 |
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| Snippet | TB34; Co基Heusler合金具有高居里温度和高自旋极化率,在自旋电子学器件中表现出潜在的应用前景.通过第一性原理计算研究了CoFeXSn(X=Ti,V,Cr)合金的结构、磁性、机械性能、动... |
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| Title | 高自旋极化材料CoFeXSn(X=Ti,V,Cr)合金的相稳定性、力学、热学性质以及电子结构 |
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