Triatomic, Layer, Chain, and Amorphous Models
In the late 1960s, the successful application of the EPM to elemental and binary compounds and the availability of model potentials [12.1] for many elements helped established the idea that a pseudopotential could be associated with an ion core independent of its chemical state. Pseudopotentials for metallic elements could then be used for semiconductor compounds. It was therefore realized that the EPM was capable of predicting electronic and optical properties of materials having complex crystal structures.
KeywordsForm Factor Band Structure Hexagonal Diamond Charge Density Plot Charge Density Contour
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