Carrier distributions associated with point charges in silicon are calculated via the quantum perturbation method and used to determine Coulombic interactions between charged defects in the presence of carrier screening. The resulting interactions are used in kinetic lattice Monte Carlo simulations of defect-mediated diffusion to study dopant redistribution and associated variations in carrier ...

A formal asymptotic analysis of two classes of phase field models for void growth and coarsening in irradiated solids has been performed to assess their sharp-interface kinetics. It was found that the sharp interface limit of type B models, which include only point defect concentrations as order parameters governed by Cahn-Hilliard equations, captures diffusion-controlled kinetics. It was also ...

The ac data in terms of impedance and dielectric loss tan were exploited simultaneously to probe the dielectric relaxation mechanisms in Bi5TiNbWO15 ceramics. It was found that two distinct relaxation mechanisms exist in the low-frequency range 10 Hz–5 MHz . One is attributed to the grain boundary relaxation and the other is associated with oxygen ion diffusion. Furthermore, the temperature dep...

In this paper the boundary conditions for point defect distributions in monocrystalline silicon are investigated. These boundary conditions are established by simple thermodynamic considerations. A circle process is used including vacancy, interstitial and Frenkel pair generation which yields a simple relationship between the vacancy and interstitial equilibrium concentrations at the surface. A...

The energetics of Ni vacancy jumps in the intermetallic compound NiAl are studied by combining embedded-atom and first-principles calculations. The embedded-atom potential used in this work is fit to both experimental and first-principles data and provides an accurate description of point defect energies and vacancy jump barriers in NiAl. Some of the embedded-atom results reported here, are ind...