October 2016

First principles study of the relative stability and electronic properties of the VN/GaN/VN interlayer

Using first principles total-energy calculations within the framework of density functional theory, the relative stability and the structural and electronic properties of a VN/GaN/VN interlayer in sodium chloride (NaCl), cesium chloride (CsCl), nickel arsenide (NiAs), zinc-blende, and wurtzite structures were studied. The calculations were carried out using a method based on pseudopotential, employed exactly as...

Author(s): Miguel Espitia J. R., Jonh Díaz F. and César Ortega L.