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Structure determination of the high-pressure phases of topological insulator Bi2Se3 using experiments and calculations
Cheng H(程虎); Zhang JR(张俊然); Li YC(李延春); Li XD(李晓东); Cheng, H; Zhang, JR; Li, YC; Li, G; Li, XD
2017
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
EISSN1089-7550
Volume121Issue:22Pages:225902
SubtypeArticle
AbstractThe pressure-induced phase transition of bismuth selenide (Bi2Se3) was investigated by combining theoretical calculations with synchrotron powder X-ray diffraction measurements up to 57.4GPa. We demonstrated that the ambient-pressure rhombohedral Bi2Se3 crystallized into a monoclinic structure with the space group C2/m at 9.1GPa, and eventually to a body-centered tetragonal structure with the space group I4/mmm at about 27.2GPa. This behavior was different from the transformation sequences of Bi2Te3 and Sb2Te3. The stabilities of five structures of Bi2Te3 were studied by density functional theory calculations. Furthermore, an unusual irreversible relaxation process was observed. We attempted to make clear the unusual structural behavior of Bi2Se3 occurring in the compression process and the relaxation process.
DOI10.1063/1.4985546
WOS KeywordSB2TE3 ; BI2TE3 ; SUPERCONDUCTIVITY ; SURFACE
Indexed BySCI ; EI ; SCOPUS ; ADS
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000403291200050
EI Accession Number20172503795646
EI KeywordsAntimony compounds - Density functional theory - Relaxation processes - Selenium compounds - Tellurium compounds - X ray diffraction
EI Classification Number931 Classical Physics ; Quantum Theory ; Relativity
ADS Bibcode2017JAP...121v5902C
ADS URLhttps://ui.adsabs.harvard.edu/abs/2017JAP...121v5902C
ADS CITATIONShttps://ui.adsabs.harvard.edu/abs/2017JAP...121v5902C/citations
Citation statistics
Cited Times:8 [ADS]
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/284796
Collection实验物理中心
多学科研究中心
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
Recommended Citation
GB/T 7714
Cheng H,Zhang JR,Li YC,et al. Structure determination of the high-pressure phases of topological insulator Bi2Se3 using experiments and calculations[J]. JOURNAL OF APPLIED PHYSICS,2017,121(22):225902.
APA 程虎.,张俊然.,李延春.,李晓东.,Cheng, H.,...&Li, XD.(2017).Structure determination of the high-pressure phases of topological insulator Bi2Se3 using experiments and calculations.JOURNAL OF APPLIED PHYSICS,121(22),225902.
MLA 程虎,et al."Structure determination of the high-pressure phases of topological insulator Bi2Se3 using experiments and calculations".JOURNAL OF APPLIED PHYSICS 121.22(2017):225902.
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