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Title: Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu 2 ZnSnS 4 , and Na 3 PS 4 related semiconductors

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1489306
Grant/Contract Number:  
AC02-05CH11231
Resource 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
Country of Publication:
United States
Language:
English

Citation Formats

Shang, Shun-Li, Wang, Yi, Anderson, Timothy J., and Liu, Zi-Kui. Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu 2 ZnSnS 4 , and Na 3 PS 4 related semiconductors. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.015401.
Shang, Shun-Li, Wang, Yi, Anderson, Timothy J., & Liu, Zi-Kui. Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu 2 ZnSnS 4 , and Na 3 PS 4 related semiconductors. United States. doi:10.1103/PhysRevMaterials.3.015401.
Shang, Shun-Li, Wang, Yi, Anderson, Timothy J., and Liu, Zi-Kui. Wed . "Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu 2 ZnSnS 4 , and Na 3 PS 4 related semiconductors". United States. doi:10.1103/PhysRevMaterials.3.015401.
@article{osti_1489306,
title = {Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu 2 ZnSnS 4 , and Na 3 PS 4 related semiconductors},
author = {Shang, Shun-Li and Wang, Yi and Anderson, Timothy J. and Liu, Zi-Kui},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.3.015401},
journal = {Physical Review Materials},
number = 1,
volume = 3,
place = {United States},
year = {2019},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevMaterials.3.015401

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