Electron-correlation-induced band renormalization and Mott transition in Ca1-xSrxVO3 |
| |
Authors: | Wang Guang-Tao Zhang Min-Ping and Zheng Li-Hua |
| |
Institution: | College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China;College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China;College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China |
| |
Abstract: | We present the local density approximate+Gutzwiller results for the electronic structure of Ca1-xSrxVO3. 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 Ca1-xSrxVO3, 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 Mott-insulator phase. |
| |
Keywords: | electronic structure calculation strongly correlated system metal-insulator transition |
|
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
| 点击此处可从《中国物理 B》下载免费的PDF全文 |
|