Electronic and structural characterization of InN heterostructures grown on β-LiGaO2 (001) substrates

The structural and electronic properties of a wurtzite InN (11-20) film on an orthorhombic LiGaO2 (001) substrate were systematically studied by first-principle calculations. The In adsorption atoms are more favorable than the N atoms, the N-N dimer will be formed with increasing N coverage on LiGaO2 (001) surface. The calculated surface grand potentials show the perfect O-2-termination is more stable than those defective O-2-terminated LiGaO2 (001). The InN/O-2-terminated LiGaO2 (001) interface is energetically favorable interface among the atomic arrangements of the InN (11-20)parallel to LiGaO2 (001) interfaces. The antisite defects In-N may act as a potential source for p-type behavior of InN on the O-2-terminated LiGaO2 (001) surface. (C) 2015 Elsevier Ltd. All rights reserved.