Add to ORKGWe performed ab initio calculations to identify and characterize the stationary points of the potential energy surface experienced by a C adatom deposited on the root 3- x root 3 beta-SiC(111) surface. A kinetic Monte Carlo simulation relying on the ab initio calculated parameters allowed us to follow C diffusion at realistic temperature and time scales. We found that the C diffusion occurs mostly around the Si adatoms characteristic of the root 3- x root 3- reconstruction
The authors have calculated the displacement-threshold energy E(d) for point-defect production in Si...
The diffusion of water in amorphous SiC (a-SiC) was investigated by molecular modeling methods based...
The use of silicon carbide in coated nuclear fuel particles relies on this materials impermeability ...
We performed ab initio calculations to identify and characterize the stationary points of the potent...
We investigate the kinetic behavior of a single C adatom on the √3 X √3 β-SiC(111) surface by means ...
We have performed molecular dynamics simulations of adatom diffusion on the SiC(001) surface and fou...
We have performed molecular dynamics simulations to determine the adsorption and diffusion activatio...
Self-diffusion of carbon (C-12 and C-13) and silicon (Si-28 and Si-30) in 4H silicon carbide has bee...
Atomic-scale computer simulations, both molecular dynamics (MD) and the nudged-elastic band methods,...
International audienceIn this letter, we explore the potential energy surface (PES) of the 3×3 C-fac...
We present here an overview of native point defects calculations in silicon carbide using Density Fu...
The diffusion and release of silver-110m, a strong γ-radiation emitter, through silicon carbide in c...
The molecular dynamics method employing an empirical potential energy function to describe the Si-C ...
The diffusion and release of silver-110m, a strong γ-radiation emitter, through silicon carbide in c...
Silicon carbide is a promising semiconductor for high temperature and power electronics. Its growth ...
The authors have calculated the displacement-threshold energy E(d) for point-defect production in Si...
The diffusion of water in amorphous SiC (a-SiC) was investigated by molecular modeling methods based...
The use of silicon carbide in coated nuclear fuel particles relies on this materials impermeability ...
We performed ab initio calculations to identify and characterize the stationary points of the potent...
We investigate the kinetic behavior of a single C adatom on the √3 X √3 β-SiC(111) surface by means ...
We have performed molecular dynamics simulations of adatom diffusion on the SiC(001) surface and fou...
We have performed molecular dynamics simulations to determine the adsorption and diffusion activatio...
Self-diffusion of carbon (C-12 and C-13) and silicon (Si-28 and Si-30) in 4H silicon carbide has bee...
Atomic-scale computer simulations, both molecular dynamics (MD) and the nudged-elastic band methods,...
International audienceIn this letter, we explore the potential energy surface (PES) of the 3×3 C-fac...
We present here an overview of native point defects calculations in silicon carbide using Density Fu...
The diffusion and release of silver-110m, a strong γ-radiation emitter, through silicon carbide in c...
The molecular dynamics method employing an empirical potential energy function to describe the Si-C ...
The diffusion and release of silver-110m, a strong γ-radiation emitter, through silicon carbide in c...
Silicon carbide is a promising semiconductor for high temperature and power electronics. Its growth ...
The authors have calculated the displacement-threshold energy E(d) for point-defect production in Si...
The diffusion of water in amorphous SiC (a-SiC) was investigated by molecular modeling methods based...
The use of silicon carbide in coated nuclear fuel particles relies on this materials impermeability ...