Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study

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	Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study
	D. W. Wang; E. K. H. Salje; S. B. Mi; C. L. Jia; L. Bellaiche
	2013
发表期刊	Physical Review B
ISSN	1098-0121
卷号	88 期号:13
摘要	An effective Hamiltonian scheme is used to reveal the properties of a multidomain structure in BiFeO3 consisting of alternating domains that are initially made of two phases, namely, R3c (ferroelectric with antiphase oxygen octahedral tilting) versus Pnma (antiferroelectric with in-phase and antiphase oxygen octahedral tiltings). These two types of domains dramatically modify their properties as a result of their cohabitation. The weak ferromagnetic vector and polarization rotate, and significantly change their magnitude, in the R3c-like region, while the Pnma-like region becomes polar along the direction of domain propagation. Moreover, the domain walls possess distinct polar and oxygen octahedral tilting patterns that facilitate the transition between these two regions. The studied multidomain is also predicted to exhibit other anomalous properties, such as its strain adopting several plateaus and steps when increasing the magnitude of an applied electric field.
部门归属	[wang, dawei ; mi, shao-bo ; jia, chun-lin] xi an jiao tong univ, key lab minist educ, elect mat res lab, xian 710049, peoples r china. [wang, dawei ; mi, shao-bo ; jia, chun-lin] xi an jiao tong univ, int ctr dielectr res, xian 710049, peoples r china. [salje, ekhard k. h.] univ cambridge, dept earth sci, cambridge cb2 3eq, england. [mi, shao-bo] chinese acad sci, inst met res, shenyang 110016, peoples r china. [jia, chun-lin] forschungszentrum julich, peter grunberg inst, d-52425 julich, germany. [jia, chun-lin] forschungszentrum julich, ernst ruska ctr microscopy & spect elect, d-52425 julich, germany. [bellaiche, l.] univ arkansas, dept phys, fayetteville, ar 72701 usa. [bellaiche, l.] univ arkansas, inst nanosci & engn, fayetteville, ar 72701 usa. ; wang, dw (reprint author), xi an jiao tong univ, key lab minist educ, elect mat res lab, xian 710049, peoples r china. ; dawei.wang@mail.xjtu.edu.cn
关键词	Domain Boundaries Conductivity Transitions Devices Batio3
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71517
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. W. Wang,E. K. H. Salje,S. B. Mi,et al. Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study[J]. Physical Review B,2013,88(13).
APA	D. W. Wang,E. K. H. Salje,S. B. Mi,C. L. Jia,&L. Bellaiche.(2013).Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study.Physical Review B,88(13).
MLA	D. W. Wang,et al."Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study".Physical Review B 88.13(2013).