Site occupation preferences in multicomponent semiconductors: the (Cd1-xxTe)-Te-Zn case
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Various models of site occupation preferences (SOPs) in multicomponent semiconducting compounds of zincblende structure type are discussed for the Cd1-xZnxTe case using our new experimental and calculated data. In order to resolve the microscopic mechanism of the phenomenon, appropriate two-body potentials and stability of all nearest neighbor (NN) tetrahedral configurations that can arise in the structure are computed using the ab-initio Linear Combination of Atomic Orbitals (LCAO) method. The obtained results are related to some known material properties and existing systematics.
Keywords:EXAFS / LCAO / multicomponent semiconductors / site preferences
Source:Materials Science Forum, 2004, 453-454, 93-98
- Progress in Advanced Materials and Processes, 5th Conference of the Yugoslav-Materials-Research-Society (Yu-MRS 2003), Sep 15-19, 2003, Herceg Novi, Yugoslavia