Electronic Structure of Some Layered Compounds, Intercalates and Misfit Layer Compounds.

The electronic structure of solids, which is the behavior of the valence electrons in terms of wave functions and energies, can be studied by theoretical methods like band structure calculations. Experimentally insight in the electronic structure is obtained by study of the physical properties like the electrical conduction, and in particular by pho electron spectroscopy. In this thesis band structure calculations are reported on some layered transition metal dichalcogenides TX2, which are built of a stacking of sandwiches TX2, and their intercalates. Intercalates are compounds in which foreign atoms (alkali methals, post-transition metals) or molecules like NH3 are present in the space between TX2 sandwiches. A new group of such intercalates are the misfit layer compounds in which a double layer of compositon MX is present between the TX2 sandwiches. ...

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Summary

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