Stable Intrinsic Long Range Antiferromagnetic Coupling in Dilutely V Doped Chalcopyrite  

作　　者：Weiyi Gong Ching-Him Leung Chuen-Keung Sin Jingzhao Zhang Xiaodong Zhang Bin Xi Junyi Zhu 龚唯奕;梁正谦;冼传强;张璟昭;张小东;席斌;朱骏宜(Department of Physics,The Chinese University of Hong Kong,Hong Kong)

机构地区：[1]Department of Physics,The Chinese University of Hong Kong,Hong Kong

出　　处：《Chinese Physics Letters》2020年第2期60-64,共5页中国物理快报（英文版）

基　　金：Supported by Chinese University of Hong Kong(CUHK)under Grant No.4053084;University Grants Committee of Hong Kong under Grant No.24300814;Start-Up Funding of CUHK。

摘　　要：A stable and long-range antiferromagnetic(AFM)coupling without charge carrier mediators has been searched for a long time,but the existence of this kind of coupling is still lacking.Based on first principle calculations,we systematically study carrier free long-range AFM coupling in four transition metal chalcopyrite systems:ABTe2(A=Cu or Ag,B=Ga or In)in the dilute doping case.The AFM coupling is mainly due to the p-d coupling and electron redistribution along the interacting chains.The relatively small energy difference between p and d orbitals,as well as between dopants and atoms in the middle of the chain can enhance the stability of longrange AFM configurations.A multi-band Hubbard model is proposed to provide fundamental understanding of long-range AFM coupling.

关 键 词：COUPLING COUPLING FERROMAGNETIC 

分 类 号：O469[理学—凝聚态物理]