Ga Self-Diffusion in GaAs

On the thermal expansion of CdS by experiment and simulation

“…216 particles are arranged in the zinc blende structure and the positions of the atoms are first fixed by taking the periodic boundary conditions into account. The Tersoff's potential is considered for the interaction of the atoms with the neighbouring atoms as this potential has been found to be successful in other II-VI and III-V systems for other physical properties [4]. This Tersoff's potential needs 13 parameters that include attractive and repulsive part of the potential.…”