Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations
文献类型：期刊论文
| 作者 | Liu, H. M.1; Zhu, C.1; Ma, C. Y.1; Dong, S.2; Liu, J. -M.1,3 |
| 刊名 | JOURNAL OF APPLIED PHYSICS
 |
| 出版日期 | 2011-10-01 |
| 卷号 | 110期号:7页码:6 |
| ISSN号 | 0021-8979 |
| DOI | 10.1063/1.3642987 |
| 通讯作者 | Liu, J. -M.(liujm@nju.edu.cn) |
| 英文摘要 | So far available experimental data on the magnetic ground state and transport behaviors of CaCrO3 are conflicting, suggesting that the electronic structure may be fragile against intrinsic or external perturbations. In this work we perform full-scale first principles calculations on the magnetic ground state and electronic structure of CaCrO3. It is revealed that the electronic structure and spin order are sensitive to the on-site Coulomb interaction and lattice distortion. The magnetic ground state is of the marginal stability, close to the boundary between various antiferromagnetically ordered phases. A crossing over the magnetic boundaries and associated metal-insulator transitions can be allowed by even weak lattice distortion (compressive strain) on the ab plane. The numerical results suggest that the on-site Coulomb interaction and lattice distortion represent two major ingredients of physics to determine the magnetic ground state, thus reasonably interpreting the scattered experimental data on the spin order and transport behaviors for CaCrO3. (C) 2011 American Institute of Physics. [doi:10.1063/1.3642987] |
| 资助项目 | Natural Science Foundation of China[10874075] ; Natural Science Foundation of China[51031004] ; Natural Science Foundation of China[11074113] ; National Key Projects for Basic Research of China[2011CB922101] ; National Key Projects for Basic Research of China[2009CB623303] ; Jiangsu Higher Education Institutions, China |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| 出版者 | AMER INST PHYSICS |
| WOS记录号 | WOS:000295883000049 |
| 资助机构 | Natural Science Foundation of China ; National Key Projects for Basic Research of China ; Jiangsu Higher Education Institutions, China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/105831]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Liu, J. -M. |
| 作者单位 | 1.Nanjing Univ, Solid State Microstruct Lab, Nanjing 210093, Peoples R China 2.Southeast Univ, Dept Phys, Nanjing 211189, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, H. M.,Zhu, C.,Ma, C. Y.,et al. Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations[J]. JOURNAL OF APPLIED PHYSICS,2011,110(7):6. |
| APA | Liu, H. M.,Zhu, C.,Ma, C. Y.,Dong, S.,&Liu, J. -M..(2011).Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations.JOURNAL OF APPLIED PHYSICS,110(7),6. |
| MLA | Liu, H. M.,et al."Fragile magnetic ground state and metal-insulator transitions in CaCrO3: The first-principles calculations".JOURNAL OF APPLIED PHYSICS 110.7(2011):6. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。