Band alignment at polycrystalline interfaces explained with bulk densities

What is it about?

Even though the alignment of energy levels at solid interfaces is known to be dictated by the charge distribution of the interface, its explanation has been based largely on empirical models following a long tradition. This paper shows that the experimental data, i. e. band offsets and Schottky barrier height, at a large number of polycrystalline interfaces of practical importance can indeed be explained quantitatively by the charge distributions at the interfaces. It also explains how to do this.

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Why is it important?

Instead of relying on empirical models with no scientific basis, the band alignment conditions at solid interfaces, even polycrystalline ones, can be explained and predicted from the scientifically sound approach based on charge density distribution.