Electronic and optical properties of MgO, ZnO, and CdO.pdf

Electronic and optical properties of MgO, ZnO, and CdO PDF

Nowadays, challenging parameter-free studies within computational condensed-matter physics facilitate the rapid progress of semiconductor technology towards computer-aided materials design. Theoretical-spectroscopy techniques provide insight into electronic excitations, dealing with the many-body aspect arising due to the involved electron-electron interaction.In this work, such numerical approaches are further developed and applied to the transparent conductive oxides MgO, ZnO, and CdO. These materials are important for transparent-oxide electronics, e.g., photovoltaics. Electronic properties are calculated within Hedins GW approximation, yielding band structures, densities of states, spin-orbit splittings, effective band masses, and natural band discontinuities. The optical properties are computed by solving a Bethe-Salpeter equation for the polarization function, leading to the complex dielectric function including excitonic and local-field effects.A special focus lies on several imperfections that affect these properties: Uniaxial and biaxial strain, iso- and heterostructural alloys, the oxygen vacancy in MgO, and the effects due to free electrons in heavily doped ZnO.



ISBN 9783838127668
AUTOR André Schleife
DATEINAME Electronic and optical properties of MgO, ZnO, and CdO.pdf

1 Dec 2016 ... ... electronic structure and optical properties of $$\hbox {Mg}_{1-x}\hbox ... Bechstedt, F.: Optical and energy-loss spectra of MgO, ZnO, and CdO ... Sprayed CdO:6% Mg thin films have been grown on preheated glass substrates. The optical properties and dispersion parameters of the films have been studied as a ... Owing to their specific combined electrical, optical and chemical properties has ... properties of (ZnO)x(CdO)1-x thin films obtained by spray pyrolysis, Thin ...