Layered solids. New crystalline materials
- 15 February 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 23 (4) , 1753-1760
- https://doi.org/10.1103/physrevb.23.1753
Abstract
Calculations of the electronic structure of materials composed of alternate layers of two elements are made. The calculations concentrate on periodic structures made of layers of gold and aluminum. Since Coulomb energies are large, it is assumed that each layer should be neutral. To achieve neutrality the aluminum must be made positive relative to the gold. Wave functions, the Fermi level, and the additional band gaps introduced by the new periodicity are calculated for several periodic structures. It is found that the pseudopotentials for the two metals make appreciable contributions to the band gaps.Keywords
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