Long Range Interaction and Structural Stability of Close Packed Polytypic Materials

摘要

The effect of long range interactions towards structural stability of close packed polytypic materials has been studied by using Ising model. We carried out calculations of close packed stacking sequences for fourth nearest neighbor interactions. The phase diagram has been obtained which confirms the contribution of long range interactions in structural stability of close packed polytypic materials. Beside the above work, Ising interaction parameters have been generated using 1/r~2 and exp(-n*r) type interlayer pseudo potentials and stabilities of the resulting structures have been studied.