钙钛矿(结构)
电子结构
电子
化学
电子组态
基态
库仑
金属
电子转移
半导体
谱线
原子物理学
化学物理
材料科学
物理化学
结晶学
计算化学
离子
物理
天文
量子力学
光电子学
有机化学
作者
D. D. Sarma,A. Chainani
标识
DOI:10.1006/jssc.1994.1219
摘要
We study the electronic structure of the LaMO3 (M = Ti-Ni) perovskite oxides as probed by various high-energy electron spectroscopics. These spectroscopic studies, in conjunction with model many-body calculations, provide important information concerning the ground state character of these oxides. In particular, the on-site Coulomb interaction strength, Udd, the charge transfer energy, Δ, and the transfer integral between the metal 3d and oxygen 2p states, t , have been estimated. These parameters are found to exhibit a systematic variation across the series. Electronic structure of the perovskites is discussed in terms of electron-removal and electron-addition spectra for the parent compound as well as for doped LaMO3, with specific reference to semiconductor-metal transitions.
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