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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

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Reference TypeJournal (article/letter/editorial)
TitleAddendum to “Convergence of density and hybrid functional defect calculations for compound semiconductors”
JournalPhysical Review B
AuthorsPeng, HaoweiAuthor
Scanlon, David O.Author
Stevanovic, VladanAuthor
Vidal, JulienAuthor
Watson, Graeme W.Author
Lany, StephanAuthor
Year2017 (December 13)Volume96
Issue23
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.96.239903Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14249515Long-form Identifiermindat:1:5:14249515:7
GUID0
Full ReferencePeng, 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
Plain TextPeng, 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
In(2017, December) Physical Review B Vol. 96 (23) American Physical Society (APS)

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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
Zakutayev, Andriy, Caskey, Christopher M., Fioretti, Angela N., Ginley, David S., Vidal, Julien, Stevanovic, Vladan, Tea, Eric, Lany, Stephan (2014) Defect Tolerant Semiconductors for Solar Energy Conversion. The Journal of Physical Chemistry Letters, 5 (7). 1117-1125 doi:10.1021/jz5001787
Allen, Jeremy P., Scanlon, David O., Watson, Graeme W. (2010) Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory. Physical Review B, 81 (16) doi:10.1103/physrevb.81.161103
Goyal, Anuj, Gorai, Prashun, Peng, Haowei, Lany, Stephan, Stevanović, Vladan (2017) A computational framework for automation of point defect calculations. Computational Materials Science, 130. 1-9 doi:10.1016/j.commatsci.2016.12.040
Kehoe, Aoife B., Scanlon, David O., Watson, Graeme W. (2011) Nature of the band gap ofTl2O3. Physical Review B, 83 (23) doi:10.1103/physrevb.83.233202
Stevanović, Vladan, Lany, Stephan, Zhang, Xiuwen, Zunger, Alex (2012) Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies. Physical Review B, 85 (11) doi:10.1103/physrevb.85.115104
Lany, Stephan (2008) Semiconductor thermochemistry in density functional calculations. Physical Review B, 78 (24) doi:10.1103/physrevb.78.245207
Scanlon, David O., Watson, Graeme W. (2012) Scanlon and Watson Reply:. Physical Review Letters, 108 (21). doi:10.1103/physrevlett.108.219704
Allen, Jeremy P., Scanlon, David O., Watson, Graeme W. (2011) Electronic structures of silver oxides. Physical Review B, 84 (11) doi:10.1103/physrevb.84.115141
Scanlon, David O., Watson, Graeme W. (2010) Conductivity Limits in CuAlO2 from Screened-Hybrid Density Functional Theory. The Journal of Physical Chemistry Letters, 1 (21). 3195-3199 doi:10.1021/jz1011725
Peng, Haowei, Lany, Stephan (2012) Semiconducting transition-metal oxides based ond5cations: Theory for MnO and Fe2O3. Physical Review B, 85 (20) doi:10.1103/physrevb.85.201202
 
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