Landolt-Börnstein - Group III Condensed Matter

Electronic and Vibrational Properties · Figs. 259 - 278

Abstract

This chapter discusses electronic structure of 3d transition metals: scandium (Sc), titanium (Ti), chromium (Cr) and iron (Fe). The tight-binding method for calculating the electronic structure of a slab of regularly stacked atomic planes has been extended to treat the case of a (0001) surface of a hexagonal-close-packed (hcp) transition metal. This chapter illustrates i) band structure for a 13-layer (0001) slab, layerwise local density of states (LDOS's), theoretical electron structure of the (0001) surface of Sc, ii) contour plot of the charge density, layerwise local density of states (LDOS's) for a Ti film, iii) energy bands of Cr(100) film without relaxation, valence electronic charge density (110) plane for Cr(001) film, the (110) SBZ for the bcc and sc lattices, calculated band structure of paramagnetic Cr, empirical dispersion relations for the Cr(110) surface state, iv) complex band structure, projected two-dimensional energy bands, partial densities of states and local density of states on the surface of cleaved bcc of Fe.

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Title
Electronic and Vibrational Properties · Figs. 259 - 278
Book Title
Electronic and Vibrational Properties
In
3.1.2.12 3d transition metals: Sc, Ti, Cr, Fe, Co, Ni
Book DOI
10.1007/b47750
Chapter DOI
10.1007/10086058_31
Part of
Landolt-Börnstein - Group III Condensed Matter
Volume
24B
Editors
  • G. Chiarotti
Authors
  • K. Jakobi

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