Institutional Repository of Chinese Acad Sci, High Field Magnet Lab,Hefei 230031, Anhui, Peoples R China
| Correlation corrected phonon vibration in YTiO3 and its effect on electronic properties | |
| Yang, Xiaoping1; Wu, Gang2 | |
| 2017 | |
| 发表期刊 | EPL
 |
| 摘要 | The infrared (IR) phonon vibration of the narrow t(2g) band system YTiO3 and its effect on electronic properties are studied using the generalized gradient approximation (GGA) and its combination with Coulomb correlation U. Coulomb U is found to improve the GGA results not only in electronic properties which has been researched frequently, but also in its lattice dynamics. The phonon frequency is increased effectively, especially in high-frequency region, which corrects the gap between experimental and theoretical GGA result. More importantly, IR-active modes are found to affect electronic properties significantly, and we find vibration-sensitive magnetic exchange interaction and strong electron-phonon coupling. Copyright (C) EPLA, 2017 |
| 文章类型 | Article |
| WOS标题词 | Science & Technology ; Physical Sciences |
| DOI | 10.1209/0295-5075/117/27004 |
| 关键词[WOS] | NEUTRON-DIFFRACTION ; PEROVSKITES ; CHEMISTRY ; SPECTRA ; SYSTEMS ; OXIDES ; LAMNO3 ; YVO3 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 项目资助者 | National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; National Natural Science Foundation of China(11644001 ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; A*STAR Computational Resource Centre of Singapore ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; 11674325 ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) ; U1632162) |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Multidisciplinary |
| WOS记录号 | WOS:000397026400014 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.hfcas.ac.cn:8080/handle/334002/32870 |
| 专题 | 中科院强磁场科学中心 |
| 作者单位 | 1.Chinese Acad Sci, High Field Magnet Lab, Hefei 230031, Peoples R China 2.Inst High Performance Comp, 1 Fusionopolis Way,L16-16 Connexis, Singapore 138632, Singapore |
| 第一作者单位 | 中科院强磁场科学中心 |
| 推荐引用方式 GB/T 7714 | Yang, Xiaoping,Wu, Gang. Correlation corrected phonon vibration in YTiO3 and its effect on electronic properties[J]. EPL,2017,117(2). |
| APA | Yang, Xiaoping,&Wu, Gang.(2017).Correlation corrected phonon vibration in YTiO3 and its effect on electronic properties.EPL,117(2). |
| MLA | Yang, Xiaoping,et al."Correlation corrected phonon vibration in YTiO3 and its effect on electronic properties".EPL 117.2(2017). |
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