LAMMPS BOP potential for the Cd-Te system developed by Ward et al. (2012) v000

Ronald E. Miller
CdTe and Cd1−xZnxTe are the leading semiconductor compounds for both photovoltaic and radiation detection applications. The performance of these materials is sensitive to the presence of atomic-scale defects in the structures. To enable accurate studies of these defects using modern atomistic simulation technologies, we have developed a high-fidelity analytical bond-order potential for the CdTe system. This potential incorporates primary (σ) and secondary (π) bonding and the valence dependence of the heteroatom interactions. The functional forms...
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