2 papers
cond-mat.str-el2001
Hubbard-U calculations for Cu from first-principles Wannier functions
I. schnell, G. Czycholl, R. C. Albers
We present first-principles calculations of optimally localized Wannier functions for Cu and use these for an ab-initio determination of Hubbard (Coulomb) matrix elements. We use a…
cond-mat.mtrl-sci2000
Three-Dimensional Elastic Compatibility: Twinning in Martensites
K. Ø. Rasmussen, T. Lookman, A. Saxena +2
We show how the St.Venant compatibility relations for strain in three dimensions lead to twinning for the cubic to tetragonal transition in martensitic materials within a Ginzburg-…