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Title: First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks

Authors:
; ;
Publication Date:
Grant/Contract Number:
AC02-05CH11231; AC05-00OR22725
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Name: Physical Review Letters Journal Volume: 120 Journal Issue: 2; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1416092

Park, Changwon, Kim, Sung Wng, and Yoon, Mina. First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks. United States: N. p., Web. doi:10.1103/PhysRevLett.120.026401.
Park, Changwon, Kim, Sung Wng, & Yoon, Mina. First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks. United States. doi:10.1103/PhysRevLett.120.026401.
Park, Changwon, Kim, Sung Wng, and Yoon, Mina. 2018. "First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks". United States. doi:10.1103/PhysRevLett.120.026401.
@article{osti_1416092,
title = {First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks},
author = {Park, Changwon and Kim, Sung Wng and Yoon, Mina},
abstractNote = {},
doi = {10.1103/PhysRevLett.120.026401},
journal = {Physical Review Letters},
number = 2,
volume = 120,
place = {United States},
year = {2018},
month = {1}
}

Works referenced in this record:

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  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999