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

Title: Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1427560
Grant/Contract Number:  
DESC0012575
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 11; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Nepal, Niraj K., Ruzsinszky, Adrienn, and Bates, Jefferson E.. Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.115140.
Nepal, Niraj K., Ruzsinszky, Adrienn, & Bates, Jefferson E.. Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods. United States. doi:10.1103/PhysRevB.97.115140.
Nepal, Niraj K., Ruzsinszky, Adrienn, and Bates, Jefferson E.. Wed . "Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods". United States. doi:10.1103/PhysRevB.97.115140.
@article{osti_1427560,
title = {Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods},
author = {Nepal, Niraj K. and Ruzsinszky, Adrienn and Bates, Jefferson E.},
abstractNote = {},
doi = {10.1103/PhysRevB.97.115140},
journal = {Physical Review B},
number = 11,
volume = 97,
place = {United States},
year = {Wed Mar 21 00:00:00 EDT 2018},
month = {Wed Mar 21 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on March 21, 2019
Publisher's Accepted Manuscript

Save / Share:

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


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


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


Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

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

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
journal, November 2006

  • Zhao, Yan; Truhlar, Donald G.
  • The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101
  • DOI: 10.1063/1.2370993