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Title: Structural phase transitions of (Bi 1$-$xSb x ) 2(Te 1$-$y Se y) 3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites

Recently, A 2B 3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi 2Te 2Se, BiSbTeSe 2, and Sb 2Te 2Se tetradymites under high pressure. Bi 2Te 2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi 2Te 3. Thus, the compression behavior of Bi 2Te 2Se is the same as that of Bi 2Se 3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe 2 and Sb 2Te 2Se undergo similar structural phase transitions to Bi 2Te 2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A 2B 3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease ofmore » the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.« less
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [2] ;  [5] ;  [1] ;  [4] ;  [5]
  1. Harbin Inst. of Technology (China). Department of Physics and Natural Science Research Center, Academy of Fundamental and Interdisciplinary Sciences
  2. Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
  3. Center for High Pressure Science and Technology Advanced Research, Shanghai (China) ; Stanford Univ., CA (United States). Department of Geological Sciences
  4. Harbin Inst. of Technology (China). Department of Physics
  5. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Department
Publication Date:
Report Number(s):
BNL-113395-2016-JA; BNL-113914-2017-JA
Journal ID: ISSN 1463-9076; R&D Project: PO010; KC0201060; TRN: US1701146
Grant/Contract Number:
SC0012704; AC02-98CH10886
Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 19; Journal Issue: 3; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1372436
Alternate Identifier(s):
OSTI ID: 1347285

Zhao, Jinggeng, Yu, Zhenhai, Hu, Qingyang, Wang, Yong, Schneeloch, John, Li, Chunyu, Zhong, Ruidan, Wang, Yi, Liu, Zhiguo, and Gu, Genda. Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites. United States: N. p., Web. doi:10.1039/c6cp07324g.
Zhao, Jinggeng, Yu, Zhenhai, Hu, Qingyang, Wang, Yong, Schneeloch, John, Li, Chunyu, Zhong, Ruidan, Wang, Yi, Liu, Zhiguo, & Gu, Genda. Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites. United States. doi:10.1039/c6cp07324g.
Zhao, Jinggeng, Yu, Zhenhai, Hu, Qingyang, Wang, Yong, Schneeloch, John, Li, Chunyu, Zhong, Ruidan, Wang, Yi, Liu, Zhiguo, and Gu, Genda. 2016. "Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites". United States. doi:10.1039/c6cp07324g. https://www.osti.gov/servlets/purl/1372436.
@article{osti_1372436,
title = {Structural phase transitions of (Bi1$-$xSbx )2(Te1$-$y Se y)3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites},
author = {Zhao, Jinggeng and Yu, Zhenhai and Hu, Qingyang and Wang, Yong and Schneeloch, John and Li, Chunyu and Zhong, Ruidan and Wang, Yi and Liu, Zhiguo and Gu, Genda},
abstractNote = {Recently, A2B3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi2Te2Se, BiSbTeSe2, and Sb2Te2Se tetradymites under high pressure. Bi2Te2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi2Te3. Thus, the compression behavior of Bi2Te2Se is the same as that of Bi2Se3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe2 and Sb2Te2Se undergo similar structural phase transitions to Bi2Te2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A2B3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.},
doi = {10.1039/c6cp07324g},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 3,
volume = 19,
place = {United States},
year = {2016},
month = {12}
}

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