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Band structure and band gap of Aluminium nitride in Zincblend phase

S. J. MOUSAVI1,* , A. BAKHSHINEZHAD2

Affiliation

  1. Department of Physics, Rasht Branch, Islamic Azad University, Rasht, Iran
  2. Department of Electronic, Sowmesara Branch, Islamic Azad University, sowmesara, Iran

Abstract

Aluminium nitride is the largest-band gap nitride semiconductor and it is suitable for high-temperature electronics and opto-electronic applications. It is characterized by high temperature stability, (melting temperature∼3000 ◦C), high elastic stiffness and excellent thermal conductivity. In this paper we have studied the Zincblend (ZB) phase of AlN which has cubic structure with first principles methods. Electronic and structural properties of AlN have been studied in the framework of density functional theory (DFT). Bulk modules, band structures and total and partial density of states (DOS) of ZB aluminum nitride have been calculated using the self-consistent FP-LAPW method. The results are in good agreement with experiment. The equilibrium lattice parameter has been calculated about 4.35 (°A). Our calculated value for the direct band gap of AlN is 3.9 eV..

Keywords

ZnS, Band structure.

Citation

S. J. MOUSAVI, A. BAKHSHINEZHAD, Band structure and band gap of Aluminium nitride in Zincblend phase, Optoelectronics and Advanced Materials - Rapid Communications, 6, 9-10, September-October 2012, pp.914-916 (2012).

Submitted at: June 19, 2012

Accepted at: Sept. 20, 2012