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Showing 2001Show all
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cond-mat.mtrl-sci2001★ 24 cited
Bending strain-driven modification of surface reconstructions: Au(111)
U. Tartaglino, E. Tosatti, D. Passerone +1
Strain can affect the morphology of a crystal surface, and cause modifications of its reconstruction even when weak, as in the case of mechanical bending. We carried out calculatio…
physics.comp-ph2001★ 9 cited
An efficient k.p method for calculation of total energy and electronic density of states
Marcella Iannuzzi, Michele Parrinello
An efficient method for calculating the electronic structure in large systems with a fully converged BZ sampling is presented. The method is based on a k.p-like approximation devel…