Magnetic structure and orbital ordering in tetragonal and monoclinic KCrF3 from first-principles calculations
文献类型：期刊论文
| 作者 | Xu YH ; Hao XF ; Lv MF ; Wu ZJ ; Zhou DF ; Meng J |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2008 |
| 卷号 | 128期号:16页码:文献编号:164721 |
| 关键词 | X-RAY-SCATTERING DOUBLE-EXCHANGE FERROMAGNET TRANSITION-METAL COMPOUNDS JAHN-TELLER DISTORTION ELECTRONIC-STRUCTURE PEROVSKITE SPECTRA CHARGE LAMNO3 |
| ISSN号 | 0021-9606 |
| 通讯作者 | zhou df |
| 中文摘要 | kcrf3 has been systematically investigated by using the full-potential linearized augmented plane wave plus local orbital method within the generalized gradient approximation and the local spin density approximation plus the on-site coulomb repulsion approach. the total energies for ferromagnetic and three different antiferromagnetic configurations are calculated in the high-temperature tetragonal and low-temperature monoclinic phases, respectively. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2010-04-14 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/9875]  |
| 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 | Xu YH,Hao XF,Lv MF,et al. Magnetic structure and orbital ordering in tetragonal and monoclinic KCrF3 from first-principles calculations[J]. journal of chemical physics ,2008,128(16):文献编号:164721. |
| APA | Xu YH,Hao XF,Lv MF,Wu ZJ,Zhou DF,&Meng J.(2008).Magnetic structure and orbital ordering in tetragonal and monoclinic KCrF3 from first-principles calculations.journal of chemical physics ,128(16),文献编号:164721. |
| MLA | Xu YH,et al."Magnetic structure and orbital ordering in tetragonal and monoclinic KCrF3 from first-principles calculations".journal of chemical physics 128.16(2008):文献编号:164721. |
入库方式： OAI收割
来源：长春应用化学研究所
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