CONSISTENT STRUCTURAL-PROPERTIES FOR ALN, GAN, AND INN

The plane-wave pseudopotential method is used to calculate structural properties for wurtzite and zinc-blende AlN and InN using large plane-wave basis sets and treating the indium 4d electrons as valence. These calculations, together with corresponding ones for GaN [A. F. Wright and J. S. Nelson, Phys. Rev. B 50, 2159 (1994)], yield a consistent set of well-converged structural properties for AlN, GaN, and InN. In particular, the measured lattice mismatch among these compoundsessential for an accurate description of alloy propertiesis well reproduced. © 1995 The American Physical Society.