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Title: Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures

Authors:
; ;
Publication Date:
Grant/Contract Number:
FG02-13ER46959; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 8; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1342611

Yu, Yonggang G., Zhang, Xiuwen, and Zunger, Alex. Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures. United States: N. p., Web. doi:10.1103/PhysRevB.95.085201.
Yu, Yonggang G., Zhang, Xiuwen, & Zunger, Alex. Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures. United States. doi:10.1103/PhysRevB.95.085201.
Yu, Yonggang G., Zhang, Xiuwen, and Zunger, Alex. 2017. "Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures". United States. doi:10.1103/PhysRevB.95.085201.
@article{osti_1342611,
title = {Natural off-stoichiometry causes carrier doping in half-Heusler filled tetrahedral structures},
author = {Yu, Yonggang G. and Zhang, Xiuwen and Zunger, Alex},
abstractNote = {},
doi = {10.1103/PhysRevB.95.085201},
journal = {Physical Review B},
number = 8,
volume = 95,
place = {United States},
year = {2017},
month = {2}
}

Works referenced in this record:

Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
journal, July 2004
  • Heyd, Jochen; Scuseria, Gustavo E.
  • The Journal of Chemical Physics, Vol. 121, Issue 3, p. 1187-1192
  • DOI: 10.1063/1.1760074

Complex thermoelectric materials
journal, February 2008
  • Snyder, G. Jeffrey; Toberer, Eric S.
  • Nature Materials, Vol. 7, Issue 2, p. 105-114
  • DOI: 10.1038/nmat2090

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States
journal, July 2008
  • Heremans, J. P.; Jovovic, V.; Toberer, E. S.
  • Science, Vol. 321, Issue 5888, p. 554-557
  • DOI: 10.1126/science.1159725

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996