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Title: Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles

Authors:
ORCiD logo [1] ;  [1] ;  [1] ;  [1] ;
  1. U.S. Army Research Laboratory Aberdeen Proving Ground Maryland 21005
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of the American Ceramic Society
Additional Journal Information:
Journal Name: Journal of the American Ceramic Society Journal Volume: 99 Journal Issue: 12; Journal ID: ISSN 0002-7820
Publisher:
Wiley-Blackwell
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1400790

Limmer, Krista R., Neupane, Mahesh R., Brennan, Raymond E., Chantawansri, Tanya L., and Sinnott, ed., S.. Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles. United States: N. p., Web. doi:10.1111/jace.14445.
Limmer, Krista R., Neupane, Mahesh R., Brennan, Raymond E., Chantawansri, Tanya L., & Sinnott, ed., S.. Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles. United States. doi:10.1111/jace.14445.
Limmer, Krista R., Neupane, Mahesh R., Brennan, Raymond E., Chantawansri, Tanya L., and Sinnott, ed., S.. 2016. "Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles". United States. doi:10.1111/jace.14445.
@article{osti_1400790,
title = {Rare‐Earth Dopant Effects on the Structural, Energetic, and Magnetic Properties of Alumina from First Principles},
author = {Limmer, Krista R. and Neupane, Mahesh R. and Brennan, Raymond E. and Chantawansri, Tanya L. and Sinnott, ed., S.},
abstractNote = {},
doi = {10.1111/jace.14445},
journal = {Journal of the American Ceramic Society},
number = 12,
volume = 99,
place = {United States},
year = {2016},
month = {8}
}

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Rationale for mixing exact exchange with density functional approximations
journal, December 1996
  • Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
  • The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
  • DOI: 10.1063/1.472933