Landolt-Börnstein - Group III Condensed Matter

Electronic and Vibrational Properties · Figs. 395 - 414

Abstract

This chapter discusses electronic structure of 5d transition metals: lanthanum (La), hafnium (Hf), tantalum (Ta), tungsten (W). The linearized augmented planar wave method has been used to calculate the electronic structures for (100) and (110) surfaces in face-centered La; total, local, and partial state densities are given, together with the surface states and resonances. Self-consistent pseudopotential calculation of the surface states and layer density of state of Hf is illustrated. The surface linearized augmented-plane-wave method has been used to perform self-consistent scalar-relativistic local-density-functional calculations for the Ta(001) surface. Essentially, all of the surface states and resonances which were found on W(001) are also found on Ta(001), except that on Ta(001) most of these surface states are unoccupied;most differences between W and Ta can be described by rigid-band behavior. Unlike W, where the Fermi energy falls in the center of a large surface-state peak in the surface-atom d-band projected density of states, this same peak in Ta lies well above the Fermi energy. Charge density, energy bands, and dispersion of surface resonance state of Ta are shown. The dispersion of the d surface bands and resonances along high symmetry directions of the two dimensional Brillouin zone has been calculated theoretically for the (001) face of W. A dominant surface state has been observed on the W(110) surface by photoemission with 16.8, 21.2, and 40.8 eV photons. Projected bulk electronic band, relativistic augmented-plane-wave band structures, energy band, total charge density, surface state and resonance states of W are illustrated.

Cite this page

References (24)

About this content

Title
Electronic and Vibrational Properties · Figs. 395 - 414
Book Title
Electronic and Vibrational Properties
In
3.1.2.14 5d transition metals: La, Hf, Ta, W, Ir,.Pt
Book DOI
10.1007/b47750
Chapter DOI
10.1007/10086058_38
Part of
Landolt-Börnstein - Group III Condensed Matter
Volume
24B
Editors
  • G. Chiarotti
Authors
  • K. Jakobi

Cite this content

For information on how to reuse or republish pieces of content found on Springer Materials please contact journalpermissions@springernature.com

Citation copied