Theoretical study of the band offsets at GaN/AlN interfaces
作者:
E. A. Albanesi,
W. R. L. Lambrecht,
B. Segall,
期刊:
Journal of Vacuum Science&Technology B: Microelectronics and Nanometer Structures Processing, Measurement, and Phenomena
(AIP Available online 1994)
卷期:
Volume 12,
issue 4
页码: 2470-2474
ISSN:1071-1023
年代: 1994
DOI:10.1116/1.587786
出版商: American Vacuum Society
关键词: GALLIUM NITRIDES;ALUMINIUM NITRIDES;HETEROJUNCTIONS;INTERFACE STATES;BAND STRUCTURE;ENERGY−LEVEL DENSITY;SCF CALCULATIONS;MUFFIN−TIN POTENTIAL;COMPARATIVE EVALUATIONS;INTERNAL STRAINS;GaN
数据来源: AIP
摘要:
The valence‐band offset at the zincblende AlN/GaN (110) interface is calculated self‐consistently by means of the linear muffin‐tin orbital method using up to 5+5 layer supercells. The value obtained isEv(GaN)−Ev(AlN)=0.85 eV corresponding to a type I offset. Assuming interface orientation and polytype effects on the valence‐band maximum to be reasonably small, a type I offset can also be expected for wurtzite interfaces. By means of separate calculations, we also test the validity of two simplified approaches, the self‐consistent dipole approximation (SCD) of Lambrecht, Segall and Andersen and the dielectric midgap energy (DME) model of Cardona and Christensen. We find that the SCD results are in very good agreement and the DME results, in fairly good agreement with the fully self‐consistent results. The interface local densities of states show no indication of interface states in the main gap.
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