First-principles study on mechanical and magnetic properties of the perovskite and post-perovskite polymorphs of pure end-member FeSiO3 at the core-mantle boundary
文献类型：期刊论文
| 作者 | Yan, YM ; Li, YW ; Fang, Z ; Wang, GT ; Ma, YM |
| 刊名 | HIGH PRESSURE RESEARCH
 |
| 出版日期 | 2010 |
| 卷号 | 30期号:2页码:292 |
| 关键词 | TOTAL-ENERGY CALCULATIONS EARTHS D''-LAYER WAVE BASIS-SET AB-INITIO SPIN TRANSITIONS LOWERMOST-MANTLE VELOCITY ZONES GROUND-STATE MGSIO3 IRON |
| ISSN号 | 0895-7959 |
| 通讯作者 | Fang, Z: Chinese Acad Sci, Inst Phys, POB 603, Beijing 100080, Peoples R China. |
| 中文摘要 | We obtained wave velocities of FeSiO3 within perovskite and post-perovskite phases at 130GPa by first-principles calculations in order to understand the abrupt reduction in seismic velocity at the core-mantle boundary. Our results proved that high iron density significantly reduces the seismic velocity. The elastic anisotropy, electronic structure and chemical bonding of FeSiO3 in perovskite and post-perovskite phases are extensively explored to illustrate the variation of mechanical and magnetic properties with pressure. Magnetic collapse was predicted in the perovskite phase, which is attributed to the pressure-induced broadening of 3d valence bands of iron. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/38269]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Yan, YM,Li, YW,Fang, Z,et al. First-principles study on mechanical and magnetic properties of the perovskite and post-perovskite polymorphs of pure end-member FeSiO3 at the core-mantle boundary[J]. HIGH PRESSURE RESEARCH,2010,30(2):292. |
| APA | Yan, YM,Li, YW,Fang, Z,Wang, GT,&Ma, YM.(2010).First-principles study on mechanical and magnetic properties of the perovskite and post-perovskite polymorphs of pure end-member FeSiO3 at the core-mantle boundary.HIGH PRESSURE RESEARCH,30(2),292. |
| MLA | Yan, YM,et al."First-principles study on mechanical and magnetic properties of the perovskite and post-perovskite polymorphs of pure end-member FeSiO3 at the core-mantle boundary".HIGH PRESSURE RESEARCH 30.2(2010):292. |
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来源：物理研究所
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