Electronic structure of multiferroic BiFeO3: Electron energy-loss spectroscopy and first-principles study

被引：4

作者：

Wang, S. ^{[1
]}

Xu, H. D. ^{[1
]}

Cai, J. ^{[2
]}

Wang, Y. P. ^{[1
]}

Tao, H. L. ^{[1
]}

Cui, Y. ^{[1
]}

He, M. ^{[1
]}

Song, B. ^{[3
]}

Zhang, Z. H. ^{[1
]}

机构：

[1] Dalian Jiaotong Univ, Sch Mat Sci & Engn, Dalian 116028, Peoples R China

[2] Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian 116029, Peoples R China

[3] Harbin Inst Technol, Acad Fundamental & Interdisciplinary Sci, Harbin 150080, Heilongjiang, Peoples R China

来源：

MICRON | 2019年 / 120卷

基金：

中国国家自然科学基金;

关键词：

Electronic structure; Electron energy loss spectrum; First-principle calculations; CRYSTAL;

D O I：

10.1016/j.micron.2019.01.012

中图分类号：

TH742 [显微镜];

学科分类号：

摘要：

The electronic structure of BiFeO3 has been investigated by using electron energy loss spectrum and first-principle calculations. Assignments of the individual interband transitions have been accomplished by comparing the interband transition energy with the calculated PDOS. The DOS is mainly divided into two regions, the hybridized region of O 2p with Fe 3p in the valence band and that of O 2p hybridized with Bi 6p in the conduction band. From the simulation of high energy-loss near-edge structure, the core-hole effect is believed to be more significant. The feature groups for the experimental spectra of O K-edge and Fe L-2,L-3-edge are consistent with simulation results.

引用

页码：43 / 47

页数：5

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