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Title: Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo

Authors:
; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1459744
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 7; Related Information: CHORUS Timestamp: 2018-07-11 10:28:34; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Shin, Hyeondeok, Benali, Anouar, Luo, Ye, Crabb, Emily, Lopez-Bezanilla, Alejandro, Ratcliff, Laura E., Jokisaari, Andrea M., and Heinonen, Olle. Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo. United States: N. p., 2018. Web. doi:10.1103/PhysRevMaterials.2.075001.
Shin, Hyeondeok, Benali, Anouar, Luo, Ye, Crabb, Emily, Lopez-Bezanilla, Alejandro, Ratcliff, Laura E., Jokisaari, Andrea M., & Heinonen, Olle. Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo. United States. doi:10.1103/PhysRevMaterials.2.075001.
Shin, Hyeondeok, Benali, Anouar, Luo, Ye, Crabb, Emily, Lopez-Bezanilla, Alejandro, Ratcliff, Laura E., Jokisaari, Andrea M., and Heinonen, Olle. Wed . "Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo". United States. doi:10.1103/PhysRevMaterials.2.075001.
@article{osti_1459744,
title = {Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo},
author = {Shin, Hyeondeok and Benali, Anouar and Luo, Ye and Crabb, Emily and Lopez-Bezanilla, Alejandro and Ratcliff, Laura E. and Jokisaari, Andrea M. and Heinonen, Olle},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.075001},
journal = {Physical Review Materials},
number = 7,
volume = 2,
place = {United States},
year = {Wed Jul 11 00:00:00 EDT 2018},
month = {Wed Jul 11 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on July 11, 2019
Publisher's Accepted Manuscript

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