title: First-principle electronic, elastic, and optical study of cubic gallium nitride.
abstract: The ab initio pseudopotential (PP) method within the generalized gradient approximation (GGA) has been used to investigate the electronic, elastic constants, and optical properties of zinc-blende GaN. An underestimated band gap along with higher DOS and squeezed energy bands around the fermi level is obtained. The d-band effect is briefly discussed for electronic band structure calculations. With the help of elastic constants, acoustic wave speeds are calculated in [100], [110], and [111] planes. The dielectric constant, refractive index, and its pressure coefficient are well illustrated. The effect of hydrostatic pressure is explicated for all these properties. The results of the present study are evaluated with the existing experimental and first-principle calculations.
authors: Research Centre of Materials Science, School of Material Science and Engineering, Beijing Institute of Technology, Beijing 100081, People's Republic of China.
authors: Zahid
authors: Z
authors: Usman
authors: Chuanbao
authors: C
authors: Cao
authors: Ghulam
authors: G
authors: Nabi
authors: Dou Yan
authors: DY
authors: Kun
authors: Waheed S
authors: WS
authors: Khan
authors: Tariq
authors: T
authors: Mehmood
authors: Sajad
authors: S
authors: Hussain