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Title: Pressure-induced multiple phase transformations of the BaBi 3 superconductor

Abstract

Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi 3. A temperature-pressure phase diagram is determined and the results suggest three different superconducting phases α, β, and γ in the studied pressure range. We further show that the occurrence of the three superconducting phases is intuitively linked to phase transitions at higher temperature, which are likely first order and structural in nature. With the α phase being the ambient-pressure tetragonal structure ( P4/mmm), our first-principles calculations suggest the β phase has a cubic structure ( Pm–3m) and the γ phase has a distorted tetragonal structure where the Bi atoms are moved out of the face-centered position. Finally, an analysis of the evolution of the superconducting upper critical field with pressure further confirms these transitions in the superconducting state and suggests a possible change of band structure or a Lifshitz transition near 1.54 GPa in γ phase. As a result, given the large atomic numbers of both Ba and Bi, our results establish BaBi 3 as a good candidate for the study of the interplay of structure with superconductivity in the presence of strong spin-orbit coupling.

Authors:
 [1];  [2];  [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. Iowa State Univ., Ames, IA (United States); Univ. Federal do ABC (UFABC), Santo Andre, SP (Brazil)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1494941
Alternate Identifier(s):
OSTI ID: 1485736
Report Number(s):
IS-J-9830
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
AC02-07CH11358; GBMF4411; 2011/19924-2
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 21; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Xiang, Li, Ribeiro, Raquel A., Kaluarachchi, Udhara S., Gati, Elena, Nguyen, Manh Cuong, Wang, Cai -Zhuang, Ho, Kai -Ming, Bud'ko, Sergey L., and Canfield, Paul C. Pressure-induced multiple phase transformations of the BaBi3 superconductor. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.214509.
Xiang, Li, Ribeiro, Raquel A., Kaluarachchi, Udhara S., Gati, Elena, Nguyen, Manh Cuong, Wang, Cai -Zhuang, Ho, Kai -Ming, Bud'ko, Sergey L., & Canfield, Paul C. Pressure-induced multiple phase transformations of the BaBi3 superconductor. United States. doi:10.1103/PhysRevB.98.214509.
Xiang, Li, Ribeiro, Raquel A., Kaluarachchi, Udhara S., Gati, Elena, Nguyen, Manh Cuong, Wang, Cai -Zhuang, Ho, Kai -Ming, Bud'ko, Sergey L., and Canfield, Paul C. Thu . "Pressure-induced multiple phase transformations of the BaBi3 superconductor". United States. doi:10.1103/PhysRevB.98.214509.
@article{osti_1494941,
title = {Pressure-induced multiple phase transformations of the BaBi3 superconductor},
author = {Xiang, Li and Ribeiro, Raquel A. and Kaluarachchi, Udhara S. and Gati, Elena and Nguyen, Manh Cuong and Wang, Cai -Zhuang and Ho, Kai -Ming and Bud'ko, Sergey L. and Canfield, Paul C.},
abstractNote = {Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi3. A temperature-pressure phase diagram is determined and the results suggest three different superconducting phases α, β, and γ in the studied pressure range. We further show that the occurrence of the three superconducting phases is intuitively linked to phase transitions at higher temperature, which are likely first order and structural in nature. With the α phase being the ambient-pressure tetragonal structure (P4/mmm), our first-principles calculations suggest the β phase has a cubic structure (Pm–3m) and the γ phase has a distorted tetragonal structure where the Bi atoms are moved out of the face-centered position. Finally, an analysis of the evolution of the superconducting upper critical field with pressure further confirms these transitions in the superconducting state and suggests a possible change of band structure or a Lifshitz transition near 1.54 GPa in γ phase. As a result, given the large atomic numbers of both Ba and Bi, our results establish BaBi3 as a good candidate for the study of the interplay of structure with superconductivity in the presence of strong spin-orbit coupling.},
doi = {10.1103/PhysRevB.98.214509},
journal = {Physical Review B},
number = 21,
volume = 98,
place = {United States},
year = {2018},
month = {12}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
journal, December 1994


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Colloquium: Topological insulators
journal, November 2010


Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3
journal, June 2009


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Observation of a large-gap topological-insulator class with a single Dirac cone on the surface
journal, May 2009

  • Xia, Y.; Qian, D.; Hsieh, D.
  • Nature Physics, Vol. 5, Issue 6, p. 398-402
  • DOI: 10.1038/nphys1274

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965