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...

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Bibliographic Details
Main Authors: Masuri, N. S., Ahmed, R., Shaari, A., Haq, B. U., Mohamad, M., Hussain, A., Muhamad, M. N.
Format: Article
Language:English
Published: Penerbit UTM Press 2016
Subjects:
Online Access:http://eprints.utm.my/73741/1/NorShafikahMasuri2016_FirstPrinciplesStudyofStructuralElectronic.pdf