skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on January 2, 2020

Title: Structure and stability of NaTa O 3 ( 001 ) and KTa O 3 ( 001 ) surfaces

Authors:
;
Publication Date:
Grant/Contract Number:
SC0007347; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 3 Journal Issue: 1; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1489309

Zhao, Xunhua, and Selloni, Annabella. Structure and stability of NaTa O 3 ( 001 ) and KTa O 3 ( 001 ) surfaces. United States: N. p., Web. doi:10.1103/PhysRevMaterials.3.015801.
Zhao, Xunhua, & Selloni, Annabella. Structure and stability of NaTa O 3 ( 001 ) and KTa O 3 ( 001 ) surfaces. United States. doi:10.1103/PhysRevMaterials.3.015801.
Zhao, Xunhua, and Selloni, Annabella. 2019. "Structure and stability of NaTa O 3 ( 001 ) and KTa O 3 ( 001 ) surfaces". United States. doi:10.1103/PhysRevMaterials.3.015801.
@article{osti_1489309,
title = {Structure and stability of NaTa O 3 ( 001 ) and KTa O 3 ( 001 ) surfaces},
author = {Zhao, Xunhua and Selloni, Annabella},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.3.015801},
journal = {Physical Review Materials},
number = 1,
volume = 3,
place = {United States},
year = {2019},
month = {1}
}

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

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

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

Low-temperature oxidation of CO catalysed by Co3O4 nanorods
journal, April 2009
  • Xie, Xiaowei; Li, Yong; Liu, Zhi-Quan
  • Nature, Vol. 458, Issue 7239, p. 746-749
  • DOI: 10.1038/nature07877

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990

Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
journal, November 2013
  • Grinberg, Ilya; West, D. Vincent; Torres, Maria
  • Nature, Vol. 503, Issue 7477, p. 509-512
  • DOI: 10.1038/nature12622