Object structure

Publication Details:

Established in 2008

Journal or Publication Title:

Armenian Journal of Physics=Ֆիզիկայի հայկական հանդես

Date of publication:

2012

Volume:

5

Number:

3

ISSN:

1829-1171

Official URL:


Title:

CALCULATION OF COULOMB REPULSION (U) FOR 3d TRANSITION ELEMENTS IN Co2YAl TYPE HEUSLER ALLOYS

Creator:

D. P. Rai ; A. Shankar ; J. Sandeep ; L. R. Singh ; M. Jamal ; S. J. Hashemifar ; M. P. Ghimire ; R. K. Thapa

Subject:

Physics ; Materials science

Coverage:

105-110

Abstract:

We performed the structure optimization of Co2YAl (Y = Sc, Ti, V, Cr, Mn, Fe) Heusler alloys based on the generalized gradient approximation (GGA) within full potential linearized augmented plane wave (FP-LAPW) method. Based on the density functional theory we have calculated the Coulomb repulsion (U) for 3d transition elements like Sc, Ti, V, Cr, Mn, Co and Fe. The calculated results are compared with the previously reported values.

Date created:

2012-10-01

Type:

Հոդված

Format:

pdf

Location of original object:

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