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Zeitschriftenartikel

Strain effects and band parameters in MgO, ZnO, and CdO

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons22010

Rinke,  Patrick
Materials Department, University of California, Santa Barbara;
Theory, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons22064

Scheffler,  Matthias
Materials Department, University of California, Santa Barbara;
Theory, Fritz Haber Institute, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)

OxideDP_09_27_2012.pdf
(beliebiger Volltext), 288KB

1.4759107.pdf
(Verlagsversion), 436KB

Ergänzendes Material (frei zugänglich)

Supplemental.reply_092712.pdf
(Ergänzendes Material), 208KB

Zitation

Yan, Q., Rinke, P., Winkelnkemper, M., Qteish, A., Bimberg, D., Scheffler, M., et al. (2012). Strain effects and band parameters in MgO, ZnO, and CdO. Applied Physics Letters, 101(15): 152105. doi:10.1063/1.4759107.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-000E-AF80-0
Zusammenfassung
We have derived consistent sets of band parameters (bandgaps, crystal-field splittings, effective masses, Luttinger, and EP parameters) and strain deformation potentials for MgO, ZnO, and CdO in the wurtzite phase. To overcome the limitations of density-functional theory in the local-density and generalized gradient approximations, we employ a hybrid functional as well as exact-exchange-based quasiparticle energy calculations in the G0W0 approach. We demonstrate that the band and strain parameters derived in this fashion are in very good agreement with the available experimental data and provide predictions for all parameters that have not been determined experimentally so far. VC 2012 American Institute of Physics.