Electronic origin of the spin-phonon coupling effect in transition-metal   perovskites

doi:10.1103/PhysRevB.96.075121

CORC > 北京大学 > 化学与分子工程学院

	Electronic origin of the spin-phonon coupling effect in transition-metal perovskites
	Wang, Hongwei ; He, Lixin ; Jiang, Hong ; Steele, Cameron ; Wu, Xifan
刊名	PHYSICAL REVIEW B
	2017
关键词	MULTIFERROICS
DOI	10.1103/PhysRevB.96.075121
英文摘要	By applying the Wannier-based extended Kugel-Khomskii model, we carry out first-principles calculations and electronic structure analysis to understand the spin-phonon coupling effect in transition-metal perovskites. We demonstrate the successful application of our approach to SrMnO3 and BiFeO3. We show that both the electron orbitals under crystal-field splitting and the electronic configuration should be taken into account in order to understand the large variances of spin-phonon coupling effects among various phonon modes as well as in different materials.; Center for the Computational Design of Functional Layered Materials, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012575]; Chinese National Science Foundation [11374275]; National Key Research and Development Program of China [2016YFB0201200]; National Natural Science Foundation [21373017, 21321001]; Ministry of Science and Technology of China [2013CB933400]; National Science Foundation (NSF); DMR [DMR-1552287]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; SCI(E); ARTICLE; 7; 96
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/471513]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Wang, Hongwei,He, Lixin,Jiang, Hong,et al. Electronic origin of the spin-phonon coupling effect in transition-metal perovskites[J]. PHYSICAL REVIEW B,2017.
APA	Wang, Hongwei,He, Lixin,Jiang, Hong,Steele, Cameron,&Wu, Xifan.(2017).Electronic origin of the spin-phonon coupling effect in transition-metal perovskites.PHYSICAL REVIEW B.
MLA	Wang, Hongwei,et al."Electronic origin of the spin-phonon coupling effect in transition-metal perovskites".PHYSICAL REVIEW B (2017).