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Title: Lattice dynamics and phase stability of rhombohedral antimony under high pressure

Abstract

The high pressure lattice dynamics of rhombohedral antimony have been studied by a combination of diffuse scattering and inelastic x-ray scattering. The evolution of the phonon behavior as a function of pressure was analyzed by means of two theoretical approaches: density functional perturbation theory and symmetry-based phenomenological phase transition analysis. Here, this paper focuses on the first structural phase transition, SbI-SbIV, and the role of vibrations in leading the transition. The phonon dispersion exhibits complex behavior as one approaches the structural transition, with the branches, corresponding to the two transitions happening at high pressure in the Va elements (A7-to-BCC and A7-to-PC) both showing softening.

Authors:
ORCiD logo [1];  [2];  [1];  [3];  [4];  [3];  [5];  [6];  [1]
  1. European Synchrotron Radiation Facility (ESRF), Grenoble (France)
  2. European Synchrotron Radiation Facility (ESRF), Grenoble (France); Karlsruhe Inst. of Technology (KIT) (Germany). Inst. for Solid State Physics
  3. West Virginia Univ., Morgantown, WV (United States); Benemérita Universidad Autónoma de Puebla (BUAP), Puebla (Mexico)
  4. Yachay Tech Univ., Urcuqui (Ecuador)
  5. Liege Univ., Liege (Belgium)
  6. European Synchrotron Radiation Facility (ESRF), Grenoble (France); Southern Federal Univ., Rostov-on-Don (Russia)
Publication Date:
Research Org.:
West Virginia Univ., Morgantown, WV (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
Contributing Org.:
Texas Advances Computer Center (TACC) with the Stampede 2; Bridges supercomputer at Pittsburgh Supercomputer Center
OSTI Identifier:
1594632
Grant/Contract Number:  
SC0016176; OCI-1053575; 1434897; 1740111
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 10; 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

Minelli, A., Souliou, S. M., Nguyen-Thanh, T., Romero, A. H., Serrano, J., Hernandez, W. Ibarra, Verstraete, M. J., Dmitriev, V., and Bosak, A. Lattice dynamics and phase stability of rhombohedral antimony under high pressure. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.100.104305.
Minelli, A., Souliou, S. M., Nguyen-Thanh, T., Romero, A. H., Serrano, J., Hernandez, W. Ibarra, Verstraete, M. J., Dmitriev, V., & Bosak, A. Lattice dynamics and phase stability of rhombohedral antimony under high pressure. United States. doi:10.1103/PhysRevB.100.104305.
Minelli, A., Souliou, S. M., Nguyen-Thanh, T., Romero, A. H., Serrano, J., Hernandez, W. Ibarra, Verstraete, M. J., Dmitriev, V., and Bosak, A. Fri . "Lattice dynamics and phase stability of rhombohedral antimony under high pressure". United States. doi:10.1103/PhysRevB.100.104305.
@article{osti_1594632,
title = {Lattice dynamics and phase stability of rhombohedral antimony under high pressure},
author = {Minelli, A. and Souliou, S. M. and Nguyen-Thanh, T. and Romero, A. H. and Serrano, J. and Hernandez, W. Ibarra and Verstraete, M. J. and Dmitriev, V. and Bosak, A.},
abstractNote = {The high pressure lattice dynamics of rhombohedral antimony have been studied by a combination of diffuse scattering and inelastic x-ray scattering. The evolution of the phonon behavior as a function of pressure was analyzed by means of two theoretical approaches: density functional perturbation theory and symmetry-based phenomenological phase transition analysis. Here, this paper focuses on the first structural phase transition, SbI-SbIV, and the role of vibrations in leading the transition. The phonon dispersion exhibits complex behavior as one approaches the structural transition, with the branches, corresponding to the two transitions happening at high pressure in the Va elements (A7-to-BCC and A7-to-PC) both showing softening.},
doi = {10.1103/PhysRevB.100.104305},
journal = {Physical Review B},
number = 10,
volume = 100,
place = {United States},
year = {2019},
month = {9}
}

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