Magnetic ordering and multiferroicity in MnI2

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	Magnetic ordering and multiferroicity in MnI2
	Wu, XX ; Cai, YX ; Xie, Q ; Weng, HM ; Fan, H ; Hu, JP
刊名	PHYSICAL REVIEW B
	2012
卷号	86 期号:13
关键词	SUCCESSIVE PHASE-TRANSITIONS TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET NEUTRON-DIFFRACTION POLARIZATION MNBR2 HEISENBERG ABSORPTION SYSTEMS METALS
ISSN号	1098-0121
通讯作者	Wu, XX: Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.
中文摘要	Density-functional calculations are carried out to investigate incommensurate magnetic structures and ferroelectric polarization in the newly discovered multiferroic material MnI2. The exchange interactions among local moments on Mn are parameterized by mapping the mean-field Heisenberg model on to the total energy difference of several magnetic ordering states. The experimentally observed noncollinear magnetic states are well reproduced by using this model and exchange interaction parameters. The direction of polarization experimentally measured is also consistent with the result derived from the symmetry analysis of the magnetically ordered state. In particular, we find that the interplane magnetic exchange coupling is pivotal to the emergence of the spiral magnetic structure. This noncollinear magnetic structure, combined with spin-orbit coupling mainly from I ions, is responsible for the appearance of ferroelectric polarization.
收录类别	SCI
资助信息	973 program [2010CB922904, 2012CV821400]; National Science Foundation of China [NSFC-1190024, 11175248, 11104339]
语种	英语
公开日期	2013-09-18
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/41264]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Wu, XX,Cai, YX,Xie, Q,et al. Magnetic ordering and multiferroicity in MnI2[J]. PHYSICAL REVIEW B,2012,86(13).
APA	Wu, XX,Cai, YX,Xie, Q,Weng, HM,Fan, H,&Hu, JP.(2012).Magnetic ordering and multiferroicity in MnI2.PHYSICAL REVIEW B,86(13).
MLA	Wu, XX,et al."Magnetic ordering and multiferroicity in MnI2".PHYSICAL REVIEW B 86.13(2012).