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Theoretical investigations on electronic and optical properties of rock-salt gallium nitride

Authors
Journal
Thin Solid Films
0040-6090
Publisher
Elsevier
Publication Date
Volume
515
Issue
4
Identifiers
DOI: 10.1016/j.tsf.2006.06.005
Keywords
  • Electronic Structure
  • Optical Properties
  • Rock-Salt Phase
  • Gallium Nitride

Abstract

Abstract The electronic and optical properties of rock-salt gallium nitride (GaN) have been investigated using the first principles method based on the plane–wave basis set. Analysis of band structure suggests that the rock-salt GaN is a middle gap indirect semiconductor with the conduction band minimum and the valence band maximum locating at X point and Σ direction respectively. Within the screen-exchange local density approximation, the bandgap is predicted to be 1.83 eV. The optical properties including dielectric function, reflectivity, absorption and energy-loss function with some special features are obtained and analyzed. The calculated pressure coefficients of the indirect bandgaps at Γ, X and L points are very small, with the value of the smallest indirect bandgap determined to be 26 meV/GPa.

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