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Three-dimensional band structure of highly metallic Na0.8WO3 by angle-resolved photoemission spectroscopy

Raj, Satyabrata and Chakraborty, Anirban and Choudhury, Debraj and Sato, Takafumi and Takahashi, Takashi and Mahadevan, Priya and Fujii, Jun and Vobornik, Ivana and Sarma, DD (2009) Three-dimensional band structure of highly metallic Na0.8WO3 by angle-resolved photoemission spectroscopy. In: Physical Review B, 79 (3). 035119-1-035119-6.

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Three-dimensional electronic structure of highly metallic sodium tungsten bronze, Na0.8WO3, is investigated by high-resolution angle-resolved photoemission spectroscopy. The experimentally determined valence-band structure along the momentum directions both parallel and perpendicular to the surface has been compared with the results of ab initio band-structure calculation. The angle-resolved photoemission spectroscopy spectra for different photon energies reveal that possibly the oxygen vacancies in the system are responsible for the evolution of density of states at the top of Gamma point in experimental valence band. The band dispersion around Gamma(X) point leading to an electronlike Fermi surface is well predicted by the band calculation. As we move from bulk-sensitive to more-surface-sensitive photon energy, we found emergence of Fermi surfaces at X(M) and M(R) points similar to the one at Gamma(X) point, suggesting the reconstruction of surface due to rotation/deformation of WO6 octahedra.

Item Type: Journal Article
Publication: Physical Review B
Publisher: American Physical Society
Additional Information: Copyright of this article belongs to American Physical Society.
Keywords: deformation;electronic density of states;Fermi surface;photoelectron spectra;sodium compounds;surface reconstruction;vacancies (crystal);valence bands
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 30 Oct 2009 10:39
Last Modified: 19 Sep 2010 05:27
URI: http://eprints.iisc.ac.in/id/eprint/19172

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