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Title: Al{sub 4}SiC{sub 4} wurtzite crystal: Structural, optoelectronic, elastic, and piezoelectric properties

New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al{sub 4}SiC{sub 4}). A state of the art implementation of the density functional theory is used to analyze the experimental crystal structure, the Born charges, the elastic properties, and the piezoelectric properties. The Born charge tensor is correlated to the local bonding environment for each atom. The electronic band structure is computed including self-consistent many-body corrections. Al{sub 4}SiC{sub 4} material properties are compared to other wide band gap wurtzite materials. From a comparison between an ellipsometry study of the optical properties and theoretical results, we conclude that the Al{sub 4}SiC{sub 4} material has indirect and direct band gap energies of about 2.5 eV and 3.2 eV, respectively.
Authors:
; ;  [1] ;  [2] ; ; ;  [3]
  1. Fonctions Optiques pour les Technologies de l’Information, FOTON UMR 6082, CNRS, INSA de Rennes, 35708 Rennes (France)
  2. Tyndall National Institute, University College Cork, Lee Maltings, Cork (Ireland)
  3. LMGP, CNRS, Université Grenoble Alpes, 38000 Grenoble (France)
Publication Date:
OSTI Identifier:
22499223
Resource Type:
Journal Article
Resource Relation:
Journal Name: APL Materials; Journal Volume: 3; Journal Issue: 12; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALUMINIUM; COMPARATIVE EVALUATIONS; CRYSTAL STRUCTURE; CRYSTALS; DENSITY FUNCTIONAL METHOD; ELASTICITY; ELLIPSOMETRY; EV RANGE; OPTICAL PROPERTIES; PIEZOELECTRICITY; SILICON CARBIDES; TENSORS