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Title: Phonon transport properties of two-dimensional electride Ca 2 N—A first-principles study

Authors:
 [1];  [1];  [2]; ORCiD logo [1];  [1]
  1. G.W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA
  2. Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1474771
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Name: Applied Physics Letters Journal Volume: 113 Journal Issue: 13; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Barry, Matthew C., Yan, Zhequan, Yoon, Mina, Kalidindi, Surya R., and Kumar, Satish. Phonon transport properties of two-dimensional electride Ca 2 N—A first-principles study. United States: N. p., 2018. Web. doi:10.1063/1.5051465.
Barry, Matthew C., Yan, Zhequan, Yoon, Mina, Kalidindi, Surya R., & Kumar, Satish. Phonon transport properties of two-dimensional electride Ca 2 N—A first-principles study. United States. doi:10.1063/1.5051465.
Barry, Matthew C., Yan, Zhequan, Yoon, Mina, Kalidindi, Surya R., and Kumar, Satish. Mon . "Phonon transport properties of two-dimensional electride Ca 2 N—A first-principles study". United States. doi:10.1063/1.5051465.
@article{osti_1474771,
title = {Phonon transport properties of two-dimensional electride Ca 2 N—A first-principles study},
author = {Barry, Matthew C. and Yan, Zhequan and Yoon, Mina and Kalidindi, Surya R. and Kumar, Satish},
abstractNote = {},
doi = {10.1063/1.5051465},
journal = {Applied Physics Letters},
number = 13,
volume = 113,
place = {United States},
year = {Mon Sep 24 00:00:00 EDT 2018},
month = {Mon Sep 24 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 28, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
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  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
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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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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
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