Charge density of group IVA transition-metal dichalcogenides
- 28 August 1979
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 12 (16) , 3253-3262
- https://doi.org/10.1088/0022-3719/12/16/013
Abstract
A systematic study of electronic properties of the layered group IVA transition-metal dichalcogenides TiS2, TiSe2, ZrS2 and ZrSe2 has been performed using the fully self-consistent OPW method according to the local density formalism. The X-ray form factors and the charge density are presented. The anisotropy, the bonding properties and the layer-layer interaction are analysed and discussed in detail. Also a general conclusion on the electronic properties of the group IVA transition-metal dichalcogenides is given.Keywords
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