261 citations · 787 across the 15 of their papers we have counts for
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cond-mat.mtrl-sci2006★ 158 cited
Structural and chemical embrittlement of grain boundaries by impurities: a general theory and first principles calculations for copper
A. Y. Lozovoi, A. T. Paxton, M. W. Finnis
First principles calculations of the Sigma 5 (310)[001] symmetric tilt grain boundary in Cu with Bi, Na, and Ag substitutional impurities provide evidence that in the phenomenon of…
cond-mat.mtrl-sci2004
The role of nitrogen related defects in high-k dielectric oxides: Density functional studies
J. L. Gavartin, A. S. Foster, G. I. Bersuker +1
Using ab initio density functional total energy and molecular dynamics simulations, we study the effects of various forms of nitrogen post deposition anneal (PDA) on the electric p…