Influence of Mn-O-Mn bond angle on the magnetic and electronic properties in YBaMn2O5
文献类型：期刊论文
| 作者 | Xiang HP ; Liu XJ ; Wu ZJ ; Meng J |
| 刊名 | journal of physical chemistry b
 |
| 出版日期 | 2006 |
| 卷号 | 110期号:6页码:2606-2610 |
| 关键词 | FERRIMAGNETIC MANGANESE OXIDE LAYERED PEROVSKITE STRUCTURE LATTICE DISTORTION MAGNETORESISTANCE CRYSTAL FILMS SPIN CA |
| ISSN号 | 1520-6106 |
| 通讯作者 | wu zj |
| 中文摘要 | the influence of the mn-o-mn bond angle on the magnetic and electronic properties of ybamn2o5 was studied by density functional theory, which was implemented in the castep code. in practical calculation, both g- and a-type antiferromagnetic (afm) orderings were considered. the calculated results indicated that g-type is more stable than a-type, in agreement with both experiment and previous theoretical study. it is also interesting to note that a transition from g-type to a-type at an mn-o-mn angle of ca. 170 degrees was found upon increasing mn-o-mn angle. therefore, the calculation suggested that what is essential to stabilize the g-type afm state is the reduction of the mn-o-mn bond angle. for both magnetic orderings, the compound changes from semiconductor to metal with the increase of mn-o-mn angle. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000235373400023 |
| 公开日期 | 2010-08-17 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/15989]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Xiang HP,Liu XJ,Wu ZJ,et al. Influence of Mn-O-Mn bond angle on the magnetic and electronic properties in YBaMn2O5[J]. journal of physical chemistry b,2006,110(6):2606-2610. |
| APA | Xiang HP,Liu XJ,Wu ZJ,&Meng J.(2006).Influence of Mn-O-Mn bond angle on the magnetic and electronic properties in YBaMn2O5.journal of physical chemistry b,110(6),2606-2610. |
| MLA | Xiang HP,et al."Influence of Mn-O-Mn bond angle on the magnetic and electronic properties in YBaMn2O5".journal of physical chemistry b 110.6(2006):2606-2610. |
入库方式： OAI收割
来源：长春应用化学研究所
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