Electron-correlation-induced band renormalization and Mott transition in Ca_(1-x)Sr_xVO_3
Electron-correlation-induced band renormalization and Mott transition in Ca_(1-x)Sr_xVO_3作者机构:College of Physics and Information EngineeringHenan Normal University
出 版 物:《Chinese Physics B》 (中国物理B(英文版))
年 卷 期:2011年第20卷第9期
页 面:329-333页
核心收录:
学科分类:07[理学] 070205[理学-凝聚态物理] 0805[工学-材料科学与工程(可授工学、理学学位)] 0704[理学-天文学] 0702[理学-物理学]
基 金:Project supported by the National Natural Science Foundation of China (Grant No.10947001)
主 题:electronic structure calculation strongly correlated system metal-insulator transition
摘 要:We present the local density approximate+Gutzwiller results for the electronic structure of Cal-xSrxVOa. The substitution of Sr2+ by Ca2+ reduces the bandwidth, as the V-O-V bond angle decreases from 180° for SrVO3 to about 160° for CaVO3. However, we find that the bandwidth decrease induced by the V-O-V bond angle decrease is smaller as compared to that induced by electron correlation. In correlated electron systems, such as Cal-=Sr=VOa, the correlation effect of 3d electrons plays a leading role in determining the bandwidth. The electron correlation effect and crystal field splitting collaboratively determine whether the compounds will be in a metal state or in a Mort-insulator phase.