期刊
PHYSICAL REVIEW B
卷 101, 期 16, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.101.161102
关键词
-
资金
- Visiting Scientist Program of the Centre de Physique Theorique Grenoble-Alpes (CPTGA)
We present an ab initio GW self-energy calculation of the electronic structure of LaNiO2. With respect to density-functional theory, we find that in GW the La 4f states undergo an important +2 eV upward shift from the Fermi level, while the O 2p states are pulled down by -1.5 eV, thus reinforcing the charge-transfer character of this material. However, GW many-body effects leave the d-like bands at the Fermi level almost unaffected, so that the Fermi-surface topology is preserved, unlike in cuprates.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据