First principles study of structural, electronic and optical properties of half-heusler alloys LIMGN, NaMGN and KMGN
In this study, we performed our calculations using the full-potential linearized-augmented plane wave (FP-LAPW) method as implemented in the WIEN2k code based on DFT. The generalized gradient functional with the Wu-Cohen (WC) parameterization was used to evaluate the structural, electronic, optical...
Main Authors: | , , , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Penerbit UTM Press
2016
|
Subjects: | |
Online Access: | http://eprints.utm.my/73741/1/NorShafikahMasuri2016_FirstPrinciplesStudyofStructuralElectronic.pdf |