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このアイテムの引用には次の識別子を使用してください:
http://hdl.handle.net/10119/9206
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| タイトル: | Phase diagram of LaVO_3 under epitaxial strain: Implications for thin films grown on SrTiO_3 and LaAlO_3 substrates |
| 著者: | Weng, Hongming
Terakura, Kiyoyuki |
| 発行日: | 2010-09-07 |
| 出版者: | American Physical Society |
| 誌名: | Physical Review B |
| 巻: | 82 |
| 号: | 11 |
| 開始ページ: | 115105-1 |
| 終了ページ: | 115105-11 |
| DOI: | 10.1103/PhysRevB.82.115105 |
| 抄録: | Various exotic phenomena have been observed in epitaxially grown films and superlattices of transition-metal oxides. In these systems, not only the interface properties but also the strain-induced modification in the bulk properties play important roles. With the recent experimental activities [Y. Hotta, T. Susaki, and H. Y. Hwang, Phys. Rev. Lett. 99, 236805 (2007)] in mind, we have studied the epitaxial strain effects on the electronic structure of Mott insulator LaVO_3. The present work is based on the calculations using density-functional theory supplemented by adding local Coulomb repulsion U for V d orbitals. The range of strain studied here extends from c/a=0.98 (bulk LaVO_3 case) to c/a=1.107 (LaAlO_3 substrate case). In this range of the strain, we have found the following three different antiferromagnetic spin-ordering (SO) phases. For 0.98<c/a<1.005, the combination of C-type SO and G-type orbital ordering (OO) is the most stable. The bulk LaVO_3 belongs to this range. For 1.005<c/a< 1.095, the ground state has A-type SO and G-type OO. LaVO_3 epitaxially grown on SrTiO_3 is in this range. When c/a>1.095, G-type SO with ferromagnetic OO becomes the ground state. This range includes the case of LaAlO_3 substrate. The implications of these results with regard to the experimental data for thin films of LaVO_3 on SrTiO_3 and LaAlO_3 substrates will be described. Detailed discussion is given on the mechanisms of stabilizing particular combination of SO and OO in each of three phases. |
| Rights: | Hongming Weng and Kiyoyuki Terakura, Physical Review B, 82(11), 2010, 115105-1-115105-11. Copyright 2010 by the American Physical Society. http://dx.doi.org/10.1103/PhysRevB.82.115105 |
| URI: | http://hdl.handle.net/10119/9206 |
| 資料タイプ: | publisher |
| 出現コレクション: | z4-10-1. 雑誌掲載論文 (Journal Articles)
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