High-Pressure Phase Transitions of PbTe Using the First-Principles Calculations
文献类型：期刊论文
| 作者 | Li YC(李延春) ; Lin CL(林传龙); Li XD(李晓东); Liu J(刘景); Li, YC; Li, G; Lin, CL; Li, XD; Liu, J
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| 刊名 | CHINESE PHYSICS LETTERS
 |
| 出版日期 | 2015 |
| 卷号 | 32期号:1页码:16101 |
| 通讯作者 | 李延春 ; 刘景 |
| 英文摘要 | High-pressure structural phase transitions in PbTe are investigated by means of the first principles total energy calculations within the generalized gradient approximation (GGA) and local density approximation (LDA) by using the density functional theory. First principle calculation shows that PbTe is stable with the NaCl-type (B1) structure under ambient conditions and transforms to the CsCl-type (B2) structure under high pressure via an intermediate phase. Two candidate structures of the intermediate phase, namely Pnma and Cmcm, are chosen for total energy calculations and discussed. It indicates that the intermediate phase adopts the Pnma structure rather than the Cmcm structure, and lattice parameters of the Pnma phase calculated by using GGA and LDA are in consistent with experimental results. |
| 学科主题 | Physics |
| 类目[WOS] | Physics, Multidisciplinary |
| 收录类别 | SCI ; CA |
| WOS记录号 | WOS:000348022800025 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/228195]  |
| 专题 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Li YC,Lin CL,Li XD,et al. High-Pressure Phase Transitions of PbTe Using the First-Principles Calculations[J]. CHINESE PHYSICS LETTERS,2015,32(1):16101. |
| APA | 李延春.,林传龙.,李晓东.,刘景.,Li, YC.,...&Liu, J.(2015).High-Pressure Phase Transitions of PbTe Using the First-Principles Calculations.CHINESE PHYSICS LETTERS,32(1),16101. |
| MLA | 李延春,et al."High-Pressure Phase Transitions of PbTe Using the First-Principles Calculations".CHINESE PHYSICS LETTERS 32.1(2015):16101. |
入库方式： OAI收割
来源：高能物理研究所
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