Local Vibrational Modes at AsN in Cubic GaN: Comparing Ab-Initio Calculations to a Semi-Empirical model

K. Petzke, C. Göbel, C. Schrepel, P. Thurian* and U. Scherz
Institut für Theoretische Physik, Technische Universität Berlin
*Institut für Festkörperphysik, Technische Universität Berlin

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abstract semi-empiric valence force model model (ab-initio)

determination of force constants

symmetries in cubic systems

calculated phonon dispersion curves of GaN

LVM found by ab-initio calculation
Fitted phonon dispersion curves Dubious vibrational modes
LVM's found by semi-empiric calculation LVM's found by semi-empiric calculation