Study of thermo-elastic and lattice dynamics properties of half-Heusler compounds XMgAl (X = Li, Na) by computational investigations

A. Afaq,Abu Bakar,M. Rizwan,M. Aftab Fareed,H. Bushra Munir,Anila Asif

Study of thermo-elastic and lattice dynamics properties of half-Heusler compounds XMgAl (X = Li, Na) by computational investigations

2019

A. Afaq
Abu Bakar
M. Rizwan
M. Aftab Fareed
H. Bushra Munir
Anila Asif

In this study, thermo-elastic and lattice dynamic properties of XMgAl (X = Li, Na) half-Heusler compounds are investigated using density functional theory implemented in WIEN2k and Quantum ESPRESSO...

Keywords:

Condensed matter physics
Elasticity (economics)
Lattice (order)
Physics
phonon density of states
WIEN2k
Dispersion relation
Quantum ESPRESSO
Density functional theory
thermo elastic
lattice dynamics

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