Towards a first principles description of phonons in Ni${}_{50}$Pt${}_{50}$ disordered alloys: the role of relaxation

Subhradip Ghosh, J. B. Neaton, Armin H. Antons +2

Using a combination of density-functional perturbation theory and the itinerant coherent potential approximation, we study the effects of atomic relaxation on the inelastic incoher…