2 papers
cond-mat.mtrl-sci2004
Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles
Armin Antons, J. B. Neaton, Karin M. Rabe +1
The effect of in-plane strain on the nonlinear dielectric properties of SrTiO3 epitaxial thin films is calculated using density-functional theory within the local-density approxima…
cond-mat.mtrl-sci2004
Towards a first principles description of phonons in NiPt 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…