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Stroppa, A., Kresse, G. (2009) Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional. Physical Review B, 79 (20) doi:10.1103/physrevb.79.201201

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Reference TypeJournal (article/letter/editorial)
TitleUnraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
JournalPhysical Review B
AuthorsStroppa, A.Author
Kresse, G.Author
Year2009 (May 1)Volume79
Issue20
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.79.201201Search in ResearchGate
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Mindat Ref. ID14201609Long-form Identifiermindat:1:5:14201609:3
GUID0
Full ReferenceStroppa, A., Kresse, G. (2009) Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional. Physical Review B, 79 (20) doi:10.1103/physrevb.79.201201
Plain TextStroppa, A., Kresse, G. (2009) Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional. Physical Review B, 79 (20) doi:10.1103/physrevb.79.201201
In(2009, May) Physical Review B Vol. 79 (20) American Physical Society (APS)

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Stroppa, A., Kresse, G., Continenza, A. (2011) Revisiting Mn-doped Ge using the Heyd-Scuseria-Ernzerhof hybrid functional. Physical Review B, 83 (8) doi:10.1103/physrevb.83.085201
Hummer, Kerstin, Harl, Judith, Kresse, Georg (2009) Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors. Physical Review B, 80 (11) doi:10.1103/physrevb.80.115205
Wróbel, Jan, Kurzydłowski, Krzysztof J., Hummer, Kerstin, Kresse, Georg, Piechota, Jacek (2009) Calculations of ZnO properties using the Heyd-Scuseria-Ernzerhof screened hybrid density functional. Physical Review B, 80 (15) doi:10.1103/physrevb.80.155124
Bisti, F., Stroppa, A., Donarelli, M., Picozzi, S., Ottaviano, L. (2011) Electronic structure of tris(8-hydroxyquinolinato)aluminium(III) revisited using the Heyd-Scuseria-Ernzerhof hybrid functional: Theory and experiments. Physical Review B, 84 (19) doi:10.1103/physrevb.84.195112
Peralta, Juan E., Heyd, Jochen, Scuseria, Gustavo E., Martin, Richard L. (2006) Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. Physical Review B, 74 (7) doi:10.1103/physrevb.74.073101
Grau-Crespo, Ricardo, Wang, Hao, Schwingenschlögl, Udo (2012) Why the Heyd-Scuseria-Ernzerhof hybrid functional description of VO2phases is not correct. Physical Review B, 86 (8) doi:10.1103/physrevb.86.081101
Flores, Mauricio A., Orellana, Walter, Menéndez-Proupin, Eduardo (2018) Accuracy of the Heyd-Scuseria-Ernzerhof hybrid functional to describe many-electron interactions and charge localization in semiconductors. Physical Review B, 98 (15) doi:10.1103/physrevb.98.155131
Demchenko, D. O., Diallo, I. C., Reshchikov, M. A. (2018) Magnesium acceptor in gallium nitride. II. Koopmans-tuned Heyd-Scuseria-Ernzerhof hybrid functional calculations of its dual nature and optical properties. Physical Review B, 97 (20) doi:10.1103/physrevb.97.205205
Heyd, Jochen, Scuseria, Gustavo E. (2004) Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional. The Journal of Chemical Physics, 121 (3). 1187-1192 doi:10.1063/1.1760074
Matsubara, Masahiko, Pizzagalli, Laurent, Bellotti, Enrico (2014) Threading screw dislocations in GaN by the Heyd-Scuseria-Ernzerhof hybrid functional. physica status solidi (c), 11 (3). 521-524 doi:10.1002/pssc.201300680
Heyd, Jochen, Peralta, Juan E., Scuseria, Gustavo E., Martin, Richard L. (2005) Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional. The Journal of Chemical Physics, 123 (17). 174101pp. doi:10.1063/1.2085170
 
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