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Investigations on exchange interactions and Curie temperatures of Zr(2)CoZ compounds by using first-principles and Monte Carlo calculations

文献类型：期刊论文

作者Wei, Xiao-Ping1,2; Gao, Peifeng2; Zhang, Ya-Ling3; Zhang, Hongbin4
刊名JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
出版日期2019-05-01
卷号477页码:190-197
关键词Hensler compounds Magnetic properties Electronic structure Exchange interaction Curie temperature
ISSN号0304-8853
DOI10.1016/j.jmmm.2019.01.051
英文摘要We systematically study the electronic and magnetic properties of Zr(2)CoZ (Z = Al, Ga, In, Tl, Si, Ge, Sn, Pb) compounds by using the first-principle calculations, and further focus on exploring their exchange interactions and Curie temperatures. Results exhibit that Zr2CoGa, Zr2CoIn and Zr2CoTl compounds show a high spin polarization. Moreover, the Heisenberg calculations imply that the Zr(A)-Zr(B), Zr(A)-Zr(A) and Zr(A)-Co(C) exchanges in interactions significantly affect the Curie temperature. In contrast, the Zr(B)-Zr(B), Zr(B)-Co(C) and Co(C)-Co(C) exchanges almost are limited to 15 meV in all cases. Based on these calculated exchange coupling parameters, Curie temperatures are evaluated by adopting the mean field approximation and Monte Carlo simulation, it is found that the Curie temperatures of Zr(2)CoZ (Z = Al, Ga, In, Tl, Sn, Pb) are noticeably higher than room temperature, indicating that they are promising candidates for spintronics applications.
WOS关键词MAGNETIC-PROPERTIES ; Z=AL ; GA ; AL ; GE ; SI
资助项目National Natural Science Foundation of China[11864021] ; Young Scholars Science Foundation of Lanzhou Jiaotong University[2015028] ; China Postdoctoral Science Foundation[2018M633604] ; Fundamental Research Funds for the Central Universities[lzujbky-2018-it01]
WOS研究方向Materials Science ; Physics
语种英语
WOS记录号WOS:000458874300030
出版者ELSEVIER SCIENCE BV
资助机构National Natural Science Foundation of China ; Young Scholars Science Foundation of Lanzhou Jiaotong University ; China Postdoctoral Science Foundation ; Fundamental Research Funds for the Central Universities
源URL[http://119.78.100.186/handle/113462/64865]  
专题中国科学院近代物理研究所
作者单位1.Lanzhou Jiaotong Univ, Sch Math & Phys, Lanzhou 730070, Gansu, Peoples R China
2.Lanzhou Univ, Coll Civil Engn & Mech, Key Lab Mech Western Disaster & Environm, MoE, Lanzhou 730000, Gansu, Peoples R China
3.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China
4.Tech Univ Darmstadt, Inst Mat Sci, D-64287 Darmstadt, Germany
推荐引用方式
GB/T 7714		 Wei, Xiao-Ping,Gao, Peifeng,Zhang, Ya-Ling,et al. Investigations on exchange interactions and Curie temperatures of Zr(2)CoZ compounds by using first-principles and Monte Carlo calculations[J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,2019,477:190-197.
APA Wei, Xiao-Ping,Gao, Peifeng,Zhang, Ya-Ling,&Zhang, Hongbin.(2019).Investigations on exchange interactions and Curie temperatures of Zr(2)CoZ compounds by using first-principles and Monte Carlo calculations.JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS,477,190-197.
MLA Wei, Xiao-Ping,et al."Investigations on exchange interactions and Curie temperatures of Zr(2)CoZ compounds by using first-principles and Monte Carlo calculations".JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 477(2019):190-197.

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来源：近代物理研究所

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