Spin-orbit coupling in the band structure of reconstructed 1 T − TaS 2

2006; American Physical Society; Volume: 73; Issue: 7 Linguagem: Inglês

10.1103/physrevb.73.073106

ISSN

1550-235X

Autores

Kai Roßnagel, N. V. Smith,

Tópico(s)

Advanced Condensed Matter Physics

Resumo

Empirical tight-binding simulations of the band structure of $1T\text{\ensuremath{-}}{\mathrm{TaS}}_{2}$ reveal that the combination of spin-orbit coupling and the low-temperature $\sqrt{13}\ifmmode\times\else\texttimes\fi{}\sqrt{13}$ reconstruction generates a distinct and very narrow band at the Fermi level. Spin-orbit interaction is therefore important in any understanding of the correlation effects in this material. The states within the split-off band are primarily of ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$, ${d}_{xy}$ character and reside preferentially on the central atom of the ``Star-of-David'' cluster.

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