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HL: Fachverband Halbleiterphysik

HL 68: Nitrides: Preparation and characterization II

HL 68.4: Vortrag

Donnerstag, 19. März 2020, 15:45–16:00, POT 112

Electronic properties of ZnSi_1−x−yGe_xSn_yN₂ semiconductors — •Masako Ogura, Dan Han, Monika Pointner, Laura Junkers, and Hubert Ebert — Ludwig-Maximilians-University Munich, Munich, Germany

Heterovalent ternary nitrides Zn(Si,Ge,Sn)N₂ have a great potential for application in optoelectronics and photovoltaics. We have investigated the mixed crystal system ZnSi_1−x−yGe_xSn_yN₂ by means of first-principles electronic structure calculations using the Korringa-Kohn-Rostoker (KKR) Green’s function method in combination with the coherent potential approximation (CPA) alloy theory.

Concerning the band gap, good agreement with available experimental data could be achieved by means of the modified Becke-Johnson exchange functional. Calculating the Bloch spectral functions as a function of energy and k-vector allowed to determine the finite lifetime of electron and hole states as well as the corresponding effective masses for the conduction and valence bands, respectively. In addition, representative results for X-ray absorption and emission spectra for the 1s-state of N will be presented.