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Title: Wurtzite structure Sc{sub 1-x}Al{sub x}N solid solution films grown by reactive magnetron sputter epitaxy: Structural characterization and first-principles calculations

Abstract

AlN(0001) was alloyed with ScN with molar fractions up to {approx}22%, while retaining a single-crystal wurtzite (w-) structure and with lattice parameters matching calculated values. Material synthesis was realized by magnetron sputter epitaxy of thin films starting from optimal conditions for the formation of w-AlN onto lattice-matched w-AlN seed layers on Al{sub 2}O{sub 3}(0001) and MgO(111) substrates. Films with ScN contents between 23% and {approx}50% exhibit phase separation into nanocrystalline ScN and AlN, while ScN-rich growth conditions yield a transformation to rocksalt structure Sc{sub 1-x}Al{sub x}N(111) films. The experimental results are analyzed with ion beam analysis, x-ray diffraction, and transmission electron microscopy, together with ab initio calculations of mixing enthalpies and lattice parameters of solid solutions in wurtzite, rocksalt, and layered hexagonal phases.

Authors:
; ; ; ; ; ;  [1];  [2];  [3]
  1. Department of Physics, Chemistry and Biology (IFM), Thin Film Physics Division, Linkoeping University, SE-581 83 Linkoeping (Sweden)
  2. Department of Physics, Chemistry and Biology (IFM), Theory and Modeling Division, Linkoeping University, SE-581 83 Linkoeping (Sweden)
  3. Research Institute for Technical Physics and Materials Science, Hungarian Academy of Sciences, P.O. Box 49, HU-1525 Budapest (Hungary)
Publication Date:
OSTI Identifier:
21476317
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 107; Journal Issue: 12; Other Information: DOI: 10.1063/1.3448235; (c) 2010 American Institute of Physics; Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM NITRIDES; ALUMINIUM OXIDES; CRYSTAL GROWTH; CUBIC LATTICES; EPITAXY; HEXAGONAL LATTICES; ION BEAMS; LATTICE PARAMETERS; LAYERS; MAGNESIUM OXIDES; MIXING HEAT; MONOCRYSTALS; NANOSTRUCTURES; SCANDIUM NITRIDES; SEMICONDUCTOR MATERIALS; SOLID SOLUTIONS; SPUTTERING; THIN FILMS; TRANSMISSION ELECTRON MICROSCOPY; X-RAY DIFFRACTION; ALKALINE EARTH METAL COMPOUNDS; ALUMINIUM COMPOUNDS; BEAMS; CHALCOGENIDES; COHERENT SCATTERING; CRYSTAL GROWTH METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; DIFFRACTION; DISPERSIONS; ELECTRON MICROSCOPY; ENTHALPY; FILMS; HOMOGENEOUS MIXTURES; MAGNESIUM COMPOUNDS; MATERIALS; MICROSCOPY; MIXTURES; NITRIDES; NITROGEN COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; PNICTIDES; SCANDIUM COMPOUNDS; SCATTERING; SOLUTIONS; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENT COMPOUNDS

Citation Formats

Hoeglund, Carina, Birch, Jens, Bareno, Javier, Persson, Per O. A., Wingqvist, Gunilla, Zukauskaite, Agne, Hultman, Lars, Alling, Bjoern, and Czigany, Zsolt. Wurtzite structure Sc{sub 1-x}Al{sub x}N solid solution films grown by reactive magnetron sputter epitaxy: Structural characterization and first-principles calculations. United States: N. p., 2010. Web. doi:10.1063/1.3448235.
Hoeglund, Carina, Birch, Jens, Bareno, Javier, Persson, Per O. A., Wingqvist, Gunilla, Zukauskaite, Agne, Hultman, Lars, Alling, Bjoern, & Czigany, Zsolt. Wurtzite structure Sc{sub 1-x}Al{sub x}N solid solution films grown by reactive magnetron sputter epitaxy: Structural characterization and first-principles calculations. United States. doi:10.1063/1.3448235.
Hoeglund, Carina, Birch, Jens, Bareno, Javier, Persson, Per O. A., Wingqvist, Gunilla, Zukauskaite, Agne, Hultman, Lars, Alling, Bjoern, and Czigany, Zsolt. Tue . "Wurtzite structure Sc{sub 1-x}Al{sub x}N solid solution films grown by reactive magnetron sputter epitaxy: Structural characterization and first-principles calculations". United States. doi:10.1063/1.3448235.
@article{osti_21476317,
title = {Wurtzite structure Sc{sub 1-x}Al{sub x}N solid solution films grown by reactive magnetron sputter epitaxy: Structural characterization and first-principles calculations},
author = {Hoeglund, Carina and Birch, Jens and Bareno, Javier and Persson, Per O. A. and Wingqvist, Gunilla and Zukauskaite, Agne and Hultman, Lars and Alling, Bjoern and Czigany, Zsolt},
abstractNote = {AlN(0001) was alloyed with ScN with molar fractions up to {approx}22%, while retaining a single-crystal wurtzite (w-) structure and with lattice parameters matching calculated values. Material synthesis was realized by magnetron sputter epitaxy of thin films starting from optimal conditions for the formation of w-AlN onto lattice-matched w-AlN seed layers on Al{sub 2}O{sub 3}(0001) and MgO(111) substrates. Films with ScN contents between 23% and {approx}50% exhibit phase separation into nanocrystalline ScN and AlN, while ScN-rich growth conditions yield a transformation to rocksalt structure Sc{sub 1-x}Al{sub x}N(111) films. The experimental results are analyzed with ion beam analysis, x-ray diffraction, and transmission electron microscopy, together with ab initio calculations of mixing enthalpies and lattice parameters of solid solutions in wurtzite, rocksalt, and layered hexagonal phases.},
doi = {10.1063/1.3448235},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 12,
volume = 107,
place = {United States},
year = {2010},
month = {6}
}