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Lattice dynamics and electronic properties of Heusler alloys Li2AlX (X=Ga, In): A comparison study by Emel Kilit Dogan; Sinem Erden Gulebaglan is a Physics and Astronomy article available to read on EtoBox.

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The lattice parameters, bulk modulus, first derivative of the bulk modulus, electronic band structures, phonon dispersion curves and phonon density of states calculations for Li 2 AlGa and Li 2 AlIn Heusler alloys are performed and compared in this study using density functional theory within the generalized gradient approximation. Computed lattice parameters display a good agreement with the literature. Obtained electronic band structures of both Heusler alloys show that they are in semi-metallic structure. Phonon dispersion curves and the phonon density of states graphs are also obtained in order to study the lattice dynamics of these Heusler alloys. It is noticed that Li 2 AlGa and Li 2 AlIn Heusler alloys are dynamically stable in the ground state.

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Author

Emel Kilit Dogan; Sinem Erden Gulebaglan

Publisher

AIP Publishing

Published

2021

Language

EN

Field

Physics and Astronomy (Physical Sciences)