Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn(3)Cr(4)O(12): Study from first-principles
文献类型：期刊论文
| 作者 | Lv SH ; Li HP ; Liu XJ ; Meng J |
| 刊名 | journal of applied physics
 |
| 出版日期 | 2011 |
| 卷号 | 110期号:2 |
| 关键词 | PEROVSKITE MAGNETORESISTANCE CHARGE CACU3MN4O12 LACU3MN4O12 TRANSITION STATE IRON |
| ISSN号 | 0021-8979 |
| 通讯作者 | liu xj |
| 中文摘要 | the magnetic and electronic structures of lamn(3)cr(4)o(12) are investigated using the full-potential linearized augmented plane wave method within both the generalized gradient approximation (gga) and gga + u (electronic correlation) methods. the calculated results indicate that lamn(3)cr(4)o(12) is an antiferromagnetic insulator. the magnetic ordering is demonstrated to be g-type within both mn-site and cr-site spins. however, there is no obvious magnetic coupling between mn-site and cr-site sublattices, which is verified by the separate distribution of their corresponding partial density of states. moreover, the magnetic coupling constants of j(cr-cr) and j(mn-mn) are predicted to be - 5.0 (- 2.8) and - 0.83 (- 0.63) mev within gga (gga + u), respectively, consistent with the experimentally observed two independent neel temperatures (t(n)(1) and t(n)(2)). the calculated densities of states reveal the experimentally reported charge formula of lamn(3)(3+)cr(4)(3+)o(12). (c) 2011 american institute of physics. [doi: 10.1063/1.3610504] |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| 公开日期 | 2012-06-08 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/44460]  |
| 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 | Lv SH,Li HP,Liu XJ,et al. Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn(3)Cr(4)O(12): Study from first-principles[J]. journal of applied physics,2011,110(2). |
| APA | Lv SH,Li HP,Liu XJ,&Meng J.(2011).Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn(3)Cr(4)O(12): Study from first-principles.journal of applied physics,110(2). |
| MLA | Lv SH,et al."Mn-Cr intersite independent magnetic behavior and electronic structures of LaMn(3)Cr(4)O(12): Study from first-principles".journal of applied physics 110.2(2011). |
入库方式： OAI收割
来源：长春应用化学研究所
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