12k citations · 36.9k across the 34 of their papers we have counts for
Showing 2002 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2002★ 128 cited
First-principles calculation of the band offset at BaO/BaTiO and SrO/SrTiO interfaces
Javier Junquera, Magali Zimmer, Pablo Ordejon +1
We report first-principles density-functional pseudopotential calculations on the atomic structures, electronic properties, and band offsets of BaO/BaTiO and SrO/SrTiO nano…
cond-mat.mtrl-sci2002★ 102 cited
Origin Of Current-Induced Forces In An Atomic Gold Wire: A First Principles Study
Mads Brandbyge, Kurt Stokbro, Jeremy Taylor +2
We address the microscopic origin of the current-induced forces by analyzing results of first principles density functional calculations of atomic gold wires connected to two gold…