Structural, elastic and electronic properties of AlN: A first principles study

The brief results of the first-principles ground-state total energy calculations for aliminium nitrat (AlN) in zincblende and rocksalt structures are presented. Structural, elastic, and electronic calculations are performed using the SIESTA method with norm-conserving pseudopotentials. The obtained results are compared with the available experimental and other theoretical data, and the agreement is, generally, quite good.