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Title: Bond disproportionation, charge self-regulation, and ligand holes in s p and in d -electron A B X 3 perovskites by density functional theory

Authors:
; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1465226
Grant/Contract Number:  
SC0010467; AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 7; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Dalpian, G. M., Liu, Q., Varignon, J., Bibes, M., and Zunger, Alex. Bond disproportionation, charge self-regulation, and ligand holes in s − p and in d -electron A B X 3 perovskites by density functional theory. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.075135.
Dalpian, G. M., Liu, Q., Varignon, J., Bibes, M., & Zunger, Alex. Bond disproportionation, charge self-regulation, and ligand holes in s − p and in d -electron A B X 3 perovskites by density functional theory. United States. doi:10.1103/PhysRevB.98.075135.
Dalpian, G. M., Liu, Q., Varignon, J., Bibes, M., and Zunger, Alex. Mon . "Bond disproportionation, charge self-regulation, and ligand holes in s − p and in d -electron A B X 3 perovskites by density functional theory". United States. doi:10.1103/PhysRevB.98.075135.
@article{osti_1465226,
title = {Bond disproportionation, charge self-regulation, and ligand holes in s − p and in d -electron A B X 3 perovskites by density functional theory},
author = {Dalpian, G. M. and Liu, Q. and Varignon, J. and Bibes, M. and Zunger, Alex},
abstractNote = {},
doi = {10.1103/PhysRevB.98.075135},
journal = {Physical Review B},
number = 7,
volume = 98,
place = {United States},
year = {Mon Aug 20 00:00:00 EDT 2018},
month = {Mon Aug 20 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on August 20, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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