Department of Physics, Shahid Chamran University of Ahvaz, Ahvaz, I.R. IRAN
Abstract
In this paper, we investigate structure and electronic properties such as lattice constant, bulk modules, compression, energy band structure also states and electronic density of the semi-conductor MgSe in hexagonal phase for B4 structure .We Calculate those mentioned above by applying the Full Potential-Linearized Augmented Plane Wave (FP-LAPW) method in the framework of Density Functional Theory (DFT) and by applying Wein2k-08 package. The obtained results showed the existence of energy gap straight 2.7 eV in Γ point. And also an ionic feature for this compound that is one of the properties of the II-IV group and being compatible enough with other experimental and theoretical results.
Salehi, H., & Nazari, H. (2016). Calculation of Structural and Electronic Properties of the Semi-Conductor MgSe in Wurtzite Hexagonal(B4) Phase by Using DFT. Nashrieh Shimi va Mohandesi Shimi Iran, 35(3), 99-107.
MLA
Hamdollah Salehi; Hassan Nazari. "Calculation of Structural and Electronic Properties of the Semi-Conductor MgSe in Wurtzite Hexagonal(B4) Phase by Using DFT". Nashrieh Shimi va Mohandesi Shimi Iran, 35, 3, 2016, 99-107.
HARVARD
Salehi, H., Nazari, H. (2016). 'Calculation of Structural and Electronic Properties of the Semi-Conductor MgSe in Wurtzite Hexagonal(B4) Phase by Using DFT', Nashrieh Shimi va Mohandesi Shimi Iran, 35(3), pp. 99-107.
VANCOUVER
Salehi, H., Nazari, H. Calculation of Structural and Electronic Properties of the Semi-Conductor MgSe in Wurtzite Hexagonal(B4) Phase by Using DFT. Nashrieh Shimi va Mohandesi Shimi Iran, 2016; 35(3): 99-107.