Tight-binding calculation of the electronic band structure of GaN, AlN and BN (001) ideal surfaces

摘要

We study the electronic band structure of the zinc-blende phase (001) ideal surface of GaN, AlN and BN by means of an empirical tight binding sp(3)s* Hamiltonian with nearest-neighbour interactions plus some second-neighbour interactions and the surface Green function matching method. We have studied both anion and cation terminated surfaces and we have obtained the different surface states with their corresponding spectral localization and orbital character. (C) 2003 Elsevier Science B.V. All rights reserved. [References: 32]