Showing cond-mat.otherShow all
3 papers · 1 filter
cond-mat.other2005
Managing the supercell approximation for charged defects in semiconductors: finite size scaling, charge correction factors, the bandgap problem and the ab initio dielectric constant
C. W. M. Castleton, A. Hoglund, S. Mirbt
The errors arising in ab initio density functional theory studies of semiconductor point defects using the supercell approximation are analyzed. It is demonstrated that a) the lead…
cond-mat.other2005
Finite size scaling as a cure for supercell approximation errors in calculations of neutral native defects in InP
C. W. M. Castleton, S. Mirbt
The relaxed and unrelaxed formation energies of neutral antisites and interstitial defects in InP are calculated using ab initio density functional theory and simple cubic supercel…
cond-mat.other2005
Stability of the solutions of the Gross-Pitaevskii equation
A. D. Jackson, G. M. Kavoulakis, E. Lundh
We examine the static and dynamic stability of the solutions of the Gross-Pitaevskii equation and demonstrate the intimate connection between them. All salient features related to…