| Ground State Property of LiV2O4 |
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| 作者姓名： | 许英 曾雉 |
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| 作者单位： | [1]Department of Physics, Jiangxi Normal University, Nanchang 330022 [2]Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant Nos 10374791, 90103038 and 10404010, the Special Funds for Major State Basic Research Project of China under Grant No G1999064509, the Knowledge Innovation Project of Chinese Academy of Sciences （KJCX2-SW-W11）, and the Talent Fund of Jiangxi Normal University under Grant No 1187. |
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| 摘 要： | The spinel structure LiV2O4 is studied by local density approximation （LDA） as well as including strong correlation correction potential, i.e. the LDA＋U scheme, which concerns the strongly correlated interaction. With LDA, the orbitals of V 3d and O 2p are well separated so that it presents purely metallic heavv fermion behaviour. The total energy of ferromagnetic phase is slightly lower than that of paramagnetic phase within the LDA ap- proach. This implies that the ferromagnetic instability as a consequence of spin frustrated magnetism can be observed in experiments. The strong correlation interaction by using LDA＋U enhances the exchange splitting. The heavy-fermion feature can be derived from the sharp peak around the Fermi level from the density of states.
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| 关 键 词： | LiV2O4 地面性质 物理学 尖晶石 结构 |
| 修稿时间： | 2006-09-19 |
Ground State Property of LiV2O4 |
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| XU Ying,ZENG Zhi.Ground State Property of LiV2O4[J].Chinese Physics Letters,2007,24(1):184-186. |
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| Authors: | XU Ying ZENG Zhi |
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| Institution: | Department of Physics, Jiangxi Normal University, Nanchang 330022
Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 |
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| Abstract: | The spinel structure LiV2O4 is studied by local density approximation (LDA) as well as including strong correlation correction potential, i.e. the LDA+U scheme, which concerns the strongly correlated interaction. With LDA, the orbitals of V 3d and O 2p are well separated so that it presents purely metallic heavy fermion behaviour. The total energy of ferromagnetic phase is slightly lower than that of paramagnetic phase within the LDA approach. This implies that the ferromagnetic instability as a consequence of spin frustrated magnetism can be observed in experiments. The strong correlation interaction by using LDA+U enhances the exchange splitting. The heavy-fermion feature can be derived from the sharp peak around the Fermi level from the density of states. |
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| Keywords: | 71 20 -b 71 27 +a |
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