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Lany, Stephan (2008) Semiconductor thermochemistry in density functional calculations. Physical Review B, 78 (24) doi:10.1103/physrevb.78.245207

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Reference TypeJournal (article/letter/editorial)
TitleSemiconductor thermochemistry in density functional calculations
JournalPhysical Review B
AuthorsLany, StephanAuthor
Year2008 (December 30)Volume78
Issue24
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.78.245207Search in ResearchGate
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Mindat Ref. ID14199118Long-form Identifiermindat:1:5:14199118:6
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Full ReferenceLany, Stephan (2008) Semiconductor thermochemistry in density functional calculations. Physical Review B, 78 (24) doi:10.1103/physrevb.78.245207
Plain TextLany, Stephan (2008) Semiconductor thermochemistry in density functional calculations. Physical Review B, 78 (24) doi:10.1103/physrevb.78.245207
In(2008, December) Physical Review B Vol. 78 (24) American Physical Society (APS)

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Lany, Stephan, Zunger, Alex (2010) Generalized Koopmans density functional calculations reveal the deep acceptor state ofNOin ZnO. Physical Review B, 81 (20) doi:10.1103/physrevb.81.205209
Lany, Stephan, Raebiger, Hannes, Zunger, Alex (2008) Magnetic interactions ofCr−CrandCo−Coimpurity pairs inZnOwithin a band-gap corrected density functional approach. Physical Review B, 77 (24) doi:10.1103/physrevb.77.241201
Peng, Haowei, Scanlon, David O., Stevanovic, Vladan, Vidal, Julien, Watson, Graeme W., Lany, Stephan (2013) Convergence of density and hybrid functional defect calculations for compound semiconductors. Physical Review B, 88 (11) doi:10.1103/physrevb.88.115201
Cheng, Ching (2008) Long-range antiferromagnetic interactions inZnFe2O4andCdFe2O4: Density functional theory calculations. Physical Review B, 78 (13) doi:10.1103/physrevb.78.132403
Lee, Shun Hang, Wan, Jones Tsz Kai (2008) Pressure correction in density-functional calculations. Physical Review B, 78 (22) doi:10.1103/physrevb.78.224103
Peng, Haowei, Scanlon, David O., Stevanovic, Vladan, Vidal, Julien, Watson, Graeme W., Lany, Stephan (2017) Addendum to “Convergence of density and hybrid functional defect calculations for compound semiconductors”. Physical Review B, 96 (23) doi:10.1103/physrevb.96.239903
Singh, D. J. (2008) Electronic structure and doping inBaFe2As2and LiFeAs: Density functional calculations. Physical Review B, 78 (9) doi:10.1103/physrevb.78.094511
Biswas, Koushik, Franceschetti, Alberto, Lany, Stephan (2008) Generalized valence-force-field model of (Ga,In)(N,P) ternary alloys. Physical Review B, 78 (8) doi:10.1103/physrevb.78.085212
Lany, Stephan (2013) Band-structure calculations for the 3dtransition metal oxides inGW. Physical Review B, 87 (8) doi:10.1103/physrevb.87.085112
Lany, Stephan, Zunger, Alex (2008) Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs. Physical Review B, 78 (23) doi:10.1103/physrevb.78.235104
Lany, Stephan, Wolf, Herbert, Wichert, Thomas (2004) Density Functional Theory Calculations Establish the Experimental Evidence of theDXCenter Atomic Structure in CdTe. Physical Review Letters, 92 (22). doi:10.1103/physrevlett.92.225504
 
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