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Title: Structures, phase transitions, and magnetic properties of C o 3 Si from first-principles calculations

Authors:
; ; ; ; ;
Publication Date:
Grant/Contract Number:
AC02-07CH11358
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 96 Journal Issue: 2; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1371501

Zhao, Xin, Yu, Shu, Wu, Shunqing, Nguyen, Manh Cuong, Wang, Cai-Zhuang, and Ho, Kai-Ming. Structures, phase transitions, and magnetic properties of C o 3 Si from first-principles calculations. United States: N. p., Web. doi:10.1103/PhysRevB.96.024422.
Zhao, Xin, Yu, Shu, Wu, Shunqing, Nguyen, Manh Cuong, Wang, Cai-Zhuang, & Ho, Kai-Ming. Structures, phase transitions, and magnetic properties of C o 3 Si from first-principles calculations. United States. doi:10.1103/PhysRevB.96.024422.
Zhao, Xin, Yu, Shu, Wu, Shunqing, Nguyen, Manh Cuong, Wang, Cai-Zhuang, and Ho, Kai-Ming. 2017. "Structures, phase transitions, and magnetic properties of C o 3 Si from first-principles calculations". United States. doi:10.1103/PhysRevB.96.024422.
@article{osti_1371501,
title = {Structures, phase transitions, and magnetic properties of C o 3 Si from first-principles calculations},
author = {Zhao, Xin and Yu, Shu and Wu, Shunqing and Nguyen, Manh Cuong and Wang, Cai-Zhuang and Ho, Kai-Ming},
abstractNote = {},
doi = {10.1103/PhysRevB.96.024422},
journal = {Physical Review B},
number = 2,
volume = 96,
place = {United States},
year = {2017},
month = {7}
}

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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Special points for Brillouin-zone integrations
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  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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