Structural and Dynamical Properties of Zincblende GaN


The structural and dynamical properties of zincblende b-GaN are calculated within a three-body Tersoff potential coupled with a molecular-dynamics simulation scheme for a temperature ranging from 300 to 900 K. A good agreement between the calculated and experimental values of the lattice constant, the bulk modulus and its derivative, and the cohesion energy… (More)


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