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Title: Understanding and revisiting the most complex perovskite system via atomistic simulations

Authors:
; ; ; ;
Publication Date:
Grant/Contract Number:
SC0002220
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 17; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1439380

Yang, Yali, Xu, Bin, Xu, Changsong, Ren, Wei, and Bellaiche, Laurent. Understanding and revisiting the most complex perovskite system via atomistic simulations. United States: N. p., Web. doi:10.1103/PhysRevB.97.174106.
Yang, Yali, Xu, Bin, Xu, Changsong, Ren, Wei, & Bellaiche, Laurent. Understanding and revisiting the most complex perovskite system via atomistic simulations. United States. doi:10.1103/PhysRevB.97.174106.
Yang, Yali, Xu, Bin, Xu, Changsong, Ren, Wei, and Bellaiche, Laurent. 2018. "Understanding and revisiting the most complex perovskite system via atomistic simulations". United States. doi:10.1103/PhysRevB.97.174106.
@article{osti_1439380,
title = {Understanding and revisiting the most complex perovskite system via atomistic simulations},
author = {Yang, Yali and Xu, Bin and Xu, Changsong and Ren, Wei and Bellaiche, Laurent},
abstractNote = {},
doi = {10.1103/PhysRevB.97.174106},
journal = {Physical Review B},
number = 17,
volume = 97,
place = {United States},
year = {2018},
month = {5}
}

Works referenced in this record:

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  • Fong, Dillon D.; Stephenson, G. Brian; Streiffer, Stephen K.
  • Science, Vol. 304, Issue 5677, p. 1650-1653
  • DOI: 10.1126/science.1098252

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

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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