First-principles study of the structural, electronic, and optical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Ga</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:mrow></mml:math>in its monoclinic and hexagonal phases

He, Haiying; Orlando, Roberto; A. Blanco, M.; Pandey, Ravindra; Amzallag, E.; Baraille, Isabelle; Rérat, Michel

doi:10.1103/physrevb.74.195123

Public

First-principles study of the structural, electronic, and optical properties ofGa2O3in its monoclinic and hexagonal phases

Shared by NobleBlocks on Nov 27, 2006 • 12:00 AM UTC

Authors:

Haiying He

Roberto Orlando

M. A. Blanco

Abstract

We report the results of a comprehensive study on the structural, electronic, and optical properties of ${\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ in its ambient, monoclinic $(\ensuremath{\beta})$ and high-pressure, hexagonal $(\ensuremath{\alpha})$ phases in the framework of all-electron density functiona...

Subject

Physics

Energy (signal processing)

Monoclinic crystal system

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