Structure and Charge Compensation of Heteropolar SiC/GaN Interfaces
M. Sznajdera and J.A. Majewskib
aInstitute of Physics, University of Rzeszów, T. Rejtana 16a, 35-310 Rzeszów, Poland
bInstitute of Theoretical Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warszawa, Poland
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We present studies of the morphology and charge distribution at the 4H-SiC/wz-GaN heteropolar junctions. Our investigations are based on the first principles calculations in the framework of the density functional theory where the interfaces between the SiC substrate and GaN layers are represented by means of a slab. These studies reveal possible charge compensation patterns at the interfaces that lead to charge redistribution from monopole to dipole character and increase the stability of the junctions. It turns out that the interfaces with C-Ga and Si-Ga bonds across the junction and reconstructions involving substitution of group IV elements into Ga layer are the most favorable energetically.

DOI: 10.12693/APhysPolA.124.772
PACS numbers: 68.35.-p, 68.35.Ct, 68.47.Fg, 68.65.-k