T. Philips Chidubem

Structural Optimization and the Study of the Electronic, Mechanical, Thermodynamic and Phonon Properties of Mg2sn from First Principle

I. S. Okunzuwa, E. Aigbekaen, Eddy & T. Philips Chidubem · Physical Science International Journal · 2020

First principles pseudopotential method based on density functional theory is used to investigate the Structural, Mechanical, Phonon, Thermodynamic and Electronic properties of Mg2Sn. The equilibrium properties including lattice constant, bulk modulus, pressure derivative cohesiv...