Comment on "Intrinsic n-type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO"

被引：34

作者：

Lany, Stephan ^{[1
]}

Zunger, Alex ^{[1
]}

机构：

[1] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

PHYSICAL REVIEW LETTERS | 2011年 / 106卷 / 06期

关键词：

EXCHANGE;

D O I：

10.1103/PhysRevLett.106.069601

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页数：1

共 10 条

[1] Intrinsic n-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO
Agoston, Peter
Albe, Karsten
Nieminen, Risto M.
Puska, Martti J.
[J]. PHYSICAL REVIEW LETTERS, 2009, 103 (24)
[2] Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals
Clark, S. J.
Robertson, J.
Lany, S.
Zunger, A.
[J]. PHYSICAL REVIEW B, 2010, 81 (11)
[3] Band gap, electronic structure, and surface electron accumulation of cubic and rhombohedral In2O3
King, P. D. C.
Veal, T. D.
Fuchs, F.
Wang, Ch. Y.
Payne, D. J.
Bourlange, A.
Zhang, H.
Bell, G. R.
Cimalla, V.
Ambacher, O.
Egdell, R. G.
Bechstedt, F.
McConville, C. F.
[J]. PHYSICAL REVIEW B, 2009, 79 (20)
[4] Influence of the exchange screening parameter on the performance of screened hybrid functionals
Krukau, Aliaksandr V.
Vydrov, Oleg A.
Izmaylov, Artur F.
Scuseria, Gustavo E.
[J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (22)
[5] Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors
Lany, S
Zunger, A
[J]. PHYSICAL REVIEW B, 2005, 72 (03)
[6] Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides
Lany, Stephan
Zunger, Alex
[J]. PHYSICAL REVIEW LETTERS, 2007, 98 (04)
[7] Many-body GW calculation of the oxygen vacancy in ZnO
Lany, Stephan
Zunger, Alex
[J]. PHYSICAL REVIEW B, 2010, 81 (11)
[8] The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
Paier, J
Hirschl, R
Marsman, M
Kresse, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (23)
[9] Rationale for mixing exact exchange with density functional approximations
Perdew, JP
Ernzerhof, M
Burke, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (22) : 9982 - 9985
[10] Implementation and performance of the frequency-dependent GW method within the PAW framework
Shishkin, M.
Kresse, G.
[J]. PHYSICAL REVIEW B, 2006, 74 (03):

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