421 citations · 661 across the 3 of their papers we have counts for
5 papers
Dynamical stabilization of the bcc phase in lanthanum and thorium by phonon-phonon interaction
P. Souvatzis, T. Bjorkman, O. Eriksson +2
The recently developed self consistent {\it ab initio} lattice dynamical method (SCAILD) has been applied to the high temperature bcc phase of La and Th which are dynamically unsta…
Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory
P. Souvatzis, O. Eriksson, M. I. Katsnelson +1
Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the cryst…
Classical potential describes martensitic phase transformations between the , and titanium phases
R. G. Hennig, T. J. Lenosky, D. R. Trinkle +2
A description of the martensitic transformations between the , and phases of titanium that includes nucleation and growth requires an accurate classical potential. Optim…
An Empirical Tight-Binding Model for Titanium Phase Transformations
D. R. Trinkle, M. D. Jones, R. G. Hennig +3
For a previously published study of the titanium hcp (alpha) to omega (omega) transformation, a tight-binding model was developed for titanium that accurately reproduces the struct…
Thermal Stabilization of the HCP Phase in Titanium
Sven P. Rudin, M. D. Jones, R. C. Albers
We have used a tight-binding model that is fit to first-principles electronic-structure calculations for titanium to calculate quasi-harmonic phonons and the Gibbs free energy of t…