Publication Details:

Established in 2008

Journal or Publication Title:

Armenian Journal of Physics=Ֆիզիկայի հայկական հանդես

Date of publication:

2010

Volume:

3

Number:

3

ISSN:

1829-1171

Official URL:

Coverage:

203-217

Abstract:

The Harrison’s First Principle (HFP) pseudopotential technique an orthogonalized plane wave (OPW) method has been applied to study the liquid electrical resistivity. Also, Knight shift, Fermi energy and electronic density of states (DOS) of liquid binary alloys of simple metals have been calculated. Reasonable agreement with experiment has been obtained. The binary alloy is regarded as being a quasi-single component system. We have also performed the first-principles calculation of the electronic band structure of Cd-Zn alloy employing full-potential Linearized augmented plane wave (FLAPW) method. Total energy minimization enables us to estimate the equilibrium volume, bulk modulus and its pressure derivative. We have also described the total density of states (DOS) and the partial DOS (PDOS) around the Fermi energy.

Date created:

2010-11-08

Format:

pdf

Identifier:

oai:arar.sci.am:23277

Location of original object:

ՀՀ ԳԱԱ Հիմնարար գիտական գրադարան