Nature of the Band Gap of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>In</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>Revealed by First-Principles Calculations and X-Ray Spectroscopy

Walsh, Aron; L. F. Da Silva, Juarez; Wei, Su‐Huai; Körber, Christoph; Klein, Andreas; F. J. Piper, Louis; DeMasi, A.; E. Smith, Kevin; Panaccione, G.; Torelli, Piero; J. Payne, David; Bourlange, A.; Egdell, R.G.

doi:10.1103/physrevlett.100.167402

Public

Nature of the Band Gap ofIn2O3Revealed by First-Principles Calculations and X-Ray Spectroscopy

Published in Physical Review Letters • Apr 25, 2008

Authors:

Aron Walsh

Juarez L. F. Da Silva

Su‐Huai Wei

Abstract

Bulk and surface sensitive x-ray spectroscopic techniques are applied in tandem to show that the valence band edge for In2O3 is found significantly closer to the bottom of the conduction band than expected on the basis of the widely quoted bulk band gap of 3.75 eV. First-principles theory shows that...

Subject

Valence (chemistry)

Physics

Band gap

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