skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on October 16, 2019

Title: Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator

Authors:
; ; ; ; ; ; ; ; ; ; ;
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 15; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1478570

Peterson, Christi, Swift, Michael W., Porter, Zach, Clément, Raphaële J., Wu, Guang, Ahn, G. H., Moon, S. J., Chakoumakos, B. C., Ruff, Jacob P. C., Cao, Huibo, Van de Walle, Chris, and Wilson, Stephen D.. Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator. United States: N. p., Web. doi:10.1103/PhysRevB.98.155128.
Peterson, Christi, Swift, Michael W., Porter, Zach, Clément, Raphaële J., Wu, Guang, Ahn, G. H., Moon, S. J., Chakoumakos, B. C., Ruff, Jacob P. C., Cao, Huibo, Van de Walle, Chris, & Wilson, Stephen D.. Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator. United States. doi:10.1103/PhysRevB.98.155128.
Peterson, Christi, Swift, Michael W., Porter, Zach, Clément, Raphaële J., Wu, Guang, Ahn, G. H., Moon, S. J., Chakoumakos, B. C., Ruff, Jacob P. C., Cao, Huibo, Van de Walle, Chris, and Wilson, Stephen D.. 2018. "Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator". United States. doi:10.1103/PhysRevB.98.155128.
@article{osti_1478570,
title = {Sr 3 Ir 2 O 7 F 2 : Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulator},
author = {Peterson, Christi and Swift, Michael W. and Porter, Zach and Clément, Raphaële J. and Wu, Guang and Ahn, G. H. and Moon, S. J. and Chakoumakos, B. C. and Ruff, Jacob P. C. and Cao, Huibo and Van de Walle, Chris and Wilson, Stephen D.},
abstractNote = {},
doi = {10.1103/PhysRevB.98.155128},
journal = {Physical Review B},
number = 15,
volume = 98,
place = {United States},
year = {2018},
month = {10}
}

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

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

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