K_2AgF_4和Cs_2AgF_4的电子结构和磁性（英文）  

MAGNETIC AND ORBITAL ORDER OF K_2AgF_4 and Cs_2AgF_4

作　　者：王广涛[1] 王东洋[1] 张琳[1] 易霞[1] 

机构地区：[1]河南师范大学物理与电子工程学院,河南新乡453007

出　　处：《低温物理学报》2015年第3期185-190,共6页Low Temperature Physical Letters

基　　金：Project supported by the National Natural Science Foundation of China(Grant Nos.11274095,0947001)~~

摘　　要：采用第一性原理计算我们研究了Jahn-Teller(JT)畸变诱导下K2AgF4和Cs2AgF4中的轨道有序和磁性.K2AgF4的基态是层内反铁磁态(AFM2),此时最近邻的Ag2+磁矩互为反平行,而它们的轨道则是相互平行的.Cs2AgF2+4的基态是层间反铁磁态(AFM1),同一AgF2层中的Ag2+磁矩相互平行,与近邻的AgF2层中Ag磁矩互为反平行.这两种体系磁性基态都可以用Goodenough-Kanamori规则进行很好的解释.The Jahn-Teller（JT）distortion induced magnetic and orbital order in K2 AgF4 and Cs2 AgF4 are investigated by first-principles calculations. We find that the ground state of K2 AgF4 displays intra-layer antiferromagnetism（AFM2）,with the spin moment of Ag2＋antiparallel to the nearest neighbors,while its orbits are parallel to each other.The ground state of Cs2AgF4 is found to be inter-layer antiferromagnetic（AFM1）,where the spin moments of Ag2＋is are parallel to each other in the same AgF2 layer,but antiparallel to the nearest layer.All the magnetic ground states can be explained by the Goodenough-Kanamori rules.

关 键 词：电子束退火 MGB2 超导薄膜 

分 类 号：O469[理学—凝聚态物理]