skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Pressure-induced phase transitions in AgClO[subscript 4]

Abstract

AgClO{sub 4} has been studied under compression by x-ray diffraction and density functional theory calculations. Experimental evidence of a structural phase transition from the tetragonal structure of AgClO{sub 4} to an orthorhombic barite-type structure has been found at 5.1 GPa. The transition is supported by total-energy calculations. In addition, a second transition to a monoclinic structure is theoretically proposed to take place beyond 17 GPa. The equation of state of the different phases is reported as well as the calculated Raman-active phonons and their pressure evolution. Finally, we provide a description of all the structures of AgClO{sub 4} and discuss their relationships. The structures are also compared with those of AgCl in order to explain the structural sequence determined for AgClO{sub 4}.

Authors:
; ; ; ;  [1];  [2];  [2];  [2]
  1. (CSIC-Spain)
  2. (
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1024050
Resource Type:
Journal Article
Journal Name:
Phys. Rev. B
Additional Journal Information:
Journal Volume: 84; Journal Issue: (6) ; 2011; Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
ENGLISH
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; COMPRESSION; FUNCTIONALS; PHONONS; X-RAY DIFFRACTION

Citation Formats

Errandonea, D., Gracia, L., Beltrán, A., Vegas, A., Meng, Y., Valencia), Jaume I), and CIW). Pressure-induced phase transitions in AgClO[subscript 4]. United States: N. p., 2011. Web. doi:10.1103/PhysRevB.84.064103.
Errandonea, D., Gracia, L., Beltrán, A., Vegas, A., Meng, Y., Valencia), Jaume I), & CIW). Pressure-induced phase transitions in AgClO[subscript 4]. United States. doi:10.1103/PhysRevB.84.064103.
Errandonea, D., Gracia, L., Beltrán, A., Vegas, A., Meng, Y., Valencia), Jaume I), and CIW). Tue . "Pressure-induced phase transitions in AgClO[subscript 4]". United States. doi:10.1103/PhysRevB.84.064103.
@article{osti_1024050,
title = {Pressure-induced phase transitions in AgClO[subscript 4]},
author = {Errandonea, D. and Gracia, L. and Beltrán, A. and Vegas, A. and Meng, Y. and Valencia) and Jaume I) and CIW)},
abstractNote = {AgClO{sub 4} has been studied under compression by x-ray diffraction and density functional theory calculations. Experimental evidence of a structural phase transition from the tetragonal structure of AgClO{sub 4} to an orthorhombic barite-type structure has been found at 5.1 GPa. The transition is supported by total-energy calculations. In addition, a second transition to a monoclinic structure is theoretically proposed to take place beyond 17 GPa. The equation of state of the different phases is reported as well as the calculated Raman-active phonons and their pressure evolution. Finally, we provide a description of all the structures of AgClO{sub 4} and discuss their relationships. The structures are also compared with those of AgCl in order to explain the structural sequence determined for AgClO{sub 4}.},
doi = {10.1103/PhysRevB.84.064103},
journal = {Phys. Rev. B},
issn = {1098-0121},
number = (6) ; 2011,
volume = 84,
place = {United States},
year = {2011},
month = {9}
}