34 citations · 57 across the 7 of their papers we have counts for
3 papers · 1 filter
Computational diffraction reveals long-range strains, disorder and crystalline domains in atomic scale simulations
Alexandre Boulle, Alain Chartier, Aurélien Debelle +2
Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamen…
Density-Functional Theory Study of Hydrogen Induced Platelets (HIPs) in Silicon
Liviu Bîlteanu, Jean-Paul Crocombette
In this contribution we present the results of Density-Functional Theory (DFT) calculations of platelets as modelled by infinite planar arrangements of hydrogen atoms and vacancies…
Hydrogen Diffusion in Silicon - An ab initio Study of Hydrogen Kinetic Properties in Silicon
Liviu Bilteanu, Mathias Posselt, Jean-Paul Crocombette
In this paper we present kinetic properties such as migration and decomposition barriers of hydrogen defects in silicon calculated by Density Functional Theory (DFT) based methods.…