中国科学院新疆理化技术研究所机构知识库
Advanced  
XJIPC OpenIR  > 新疆维吾尔自治区电子信息材料与器件重点实验室  > 期刊论文
题名: Effects of halogen substitutes on the electronic and magnetic properties of BiFeO3
作者: Bian, Liang; Xu, Jin-Bao; Song, Mian-Xin; Dong, Hai-Liang; Dong, Fa-Qin
通讯作者: Bian, L.
刊名: RSC Advances
发表日期: 2013
DOI: 10.1039/c3ra45156a
卷: 3, 期:47, 页:25129-25135
收录类别: SCI ; EI
摘要: To observe the high-temperature ferro-electricity at room-temperature, we used a halogen to create a 2p-hole for improving O-Fe p-d electronic transition, and calculated the systematic variations in electronic and magnetic properties using first-principle calculation. The systems prefer to charge disproportionate as Fe3+-O2--Fe2+ with the highly localized halogen concentration increasing, where the O-site halogen creates a 2p-hole to disproportionate Fe charge from Fe3+-d5 orbital with a full-filled triple degeneracy orbits (t2g) orbital to Fe 2+-d5-d0 with a partially filled t2g orbital. Whatever at room-temperature or high-temperature phase, the halogen substitutes, typically, for F (or Cl)-doping, induce the electrons to transfer from O-2p4 &rarr unoccupied Fe3+-3d5 to O-2p4&rarrBi3+-6p3, while the ferromagnetic (FM)-anti-ferromagnetic (AFM) phase transits at about 1 atom per cell. Furthermore, to retain O-Fe electron transfer process, we applied the crystallographic anisotropy to produce the strong Fe-O orbital hybridization which offsets the effect of 2p-hole, and it causes more significant O-2p 4 &rarr unoccupied Fe3+-d5 electronic transitions at the valence band. This study opens a new perspective to the development of multiferroic devices with independent temperature.
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/4180
Appears in Collections:新疆维吾尔自治区电子信息材料与器件重点实验室_期刊论文

Files in This Item:
File Name/ File Size Content Type Version Access License
Effects of halogen substitutes on the electronic and magnetic properties of BiFeO3.pdf(789KB)期刊论文作者接受稿开放获取View 联系获取全文

作者单位: Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Xinjiang, Peoples R China;Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Xinjiang, Peoples R China;South West Univ Sci & Technol, Mianyang 621010, Sichuan, Peoples R China;Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA

Recommended Citation:
Bian, Liang,Xu, Jin-Bao,Song, Mian-Xin,et al. Effects of halogen substitutes on the electronic and magnetic properties of BiFeO3[J]. RSC Advances,2013,3(47):25129-25135.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Bian, Liang]'s Articles
[Xu, Jin-Bao]'s Articles
[Song, Mian-Xin]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Bian, Liang]‘s Articles
[Xu, Jin-Bao]‘s Articles
[Song, Mian-Xin]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit
文件名: Effects of halogen substitutes on the electronic and magnetic properties of BiFeO3.pdf
格式: Adobe PDF
此文件暂不支持浏览
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace