Strain effects on the interface properties of nitride semiconductors
نویسندگان
چکیده
An ab initio study of nitride-based heteroepitaxial interfaces that uses norm-conserving pseudopotentials and explicitly treats the strain due to lattice mismatch is presented. Strain effects on the band offsets range from 20% to 40%. The AlN/GaN/InN interfaces ~with AlN in-plane lattice constant! are all of type I, while the Al 0.5Ga0.5N/AlN zinc-blende ~001! interface is of type II. Further, the bulk polarizations in wurtzite AlN and GaN are 21.2 and 20.45 mC/cm, respectively, and the interface contribution to the polarization in the GaN/AlN wurtzite multiquantum-well is small. @S0163-1829~97!52912-2#
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