Pseudopotential Calculations for Ideal Interfaces
Real interfaces are complicated. Even for a surface resulting from a crystal cleaved in vacuum, it is difficult to eliminate steps, vacancies, and dislocations. If an ideal surface is obtained, reconstruction and charge redistribution are common properties. For solid-solid interfaces, diffusion, misfit dislocations, and other “nonideal” phenomena are common. However, it is still important to understand the ideal cases. A good description of an ideal interface provides a basis for comparison with real systems and allows an identification of observed properties in terms of deviations from ideal behavior.
KeywordsInterface State Schottky Barrier Decay Length Schottky Barrier Height Electronic Energy Level
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