2 papers
cond-mat.mtrl-sci2011
First-principles study of As interstitials in GaAs: Convergence, relaxation, and formation energy
J T Schick, C G Morgan, P Papoulias
Convergence of density-functional supercell calculations for defect formation energies, charge transition levels, localized defect state properties, and defect atomic structure and…
cond-mat.mtrl-sci2011
Gallium interstitial contributions to diffusion in gallium arsenide
J. T. Schick, C. G. Morgan, P. Papoulias
Enthalpies of formation of gallium interstitials and all the other native point defects in gallium arsenide are calculated using the same well-converged \emph{ab initio} techniques…