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Structure determination of the intermediate phase of PbSe using experiments and calculations
Li YC(李延春); Li, YC; Lin CL(林传龙); Li, G; Lin, CL; Li, XD; Liu, J;李晓东; Liu J(刘景)
2014
发表期刊JOURNAL OF APPLIED PHYSICS
卷号116期号:5页码:53502
摘要The pressure-induced structure transitions of PbSe were investigated at pressures up to 50 GPa in diamond anvil cells using synchrotron powder and single-crystal X-ray diffraction methods. A phase transition from the initial NaCl-type structure to an intermediate phase was observed at 4.8 GPa, followed by another phase transition to a CsCl-type structure at 19.5 GPa, which is in agreement with previous reports. In addition, the NaCl-type, Pnma, Cmcm, and CsCl-type structures of PbSe were investigated using density functional theory calculations. Based on the experiments and calculations, the intermediate phase has Pnma symmetry rather than Cmcm symmetry, as has been previously suggested. Some of the diffraction peaks of the Pnma phase were broad in the high-pressure experiments, but were determined to be single diffraction peaks rather than the overlap of multiple peaks by different experimental methods. The Pnma and Cmcm structures of PbSe were compared. It was found that two structures were very similar, and it was difficult to distinguish one power diffraction pattern from the other. (C) 2014 AIP Publishing LLC.
学科领域Physics
DOI10.1063/1.4891991
收录类别SCI
WOS记录号WOS:000341178900010
引用统计
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/225066
专题多学科研究中心
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Li YC,Li, YC,Lin CL,et al. Structure determination of the intermediate phase of PbSe using experiments and calculations[J]. JOURNAL OF APPLIED PHYSICS,2014,116(5):53502.
APA 李延春.,Li, YC.,林传龙.,Li, G.,Lin, CL.,...&刘景.(2014).Structure determination of the intermediate phase of PbSe using experiments and calculations.JOURNAL OF APPLIED PHYSICS,116(5),53502.
MLA 李延春,et al."Structure determination of the intermediate phase of PbSe using experiments and calculations".JOURNAL OF APPLIED PHYSICS 116.5(2014):53502.
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