Correlatively employing density functional theory and experiments congregated around high power pulsed magnetron sputtering, a plasma-surface model for metastable Cr0.8Al0.2N (space group Fmm) is developed. This plasma-surface model relates plasma energetics with film composition, crystal structure, mass density, stress state, and elastic properties. It is predicted that N Frenkel pairs form during Cr0.8Al0.2N growth due to high-energy ion irradiation, yielding a mass density of 5.69 g cm−3 at room temperature and Young's modulus of 358–130 GPa in the temperature range of 50–700 K for the stress-free state and about 150 GPa larger values for the compressive stress of 4 GPa. Our measurements are consistent with the quantum mechanical predictions within 5% for the mass density and 3% for Young's modulus. The hypothesis of a stress-induced Young's modulus change may at least in part explain the spread in the reported elasticity data ranging from 250 to 420 GPa.
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7 June 2017
Research Article|
June 07 2017
Correlative plasma-surface model for metastable Cr-Al-N: Frenkel pair formation and influence of the stress state on the elastic properties
Denis Music
;
Denis Music
a)
1
Materials Chemistry, RWTH Aachen University
, Kopernikusstr. 10, D-52074 Aachen, Germany
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Lars Banko;
Lars Banko
2
Institute for Materials Science, Ruhr University Bochum
, D-44780 Bochum, Germany
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Holger Ruess;
Holger Ruess
1
Materials Chemistry, RWTH Aachen University
, Kopernikusstr. 10, D-52074 Aachen, Germany
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Martin Engels;
Martin Engels
3
Surface Engineering Institute, RWTH Aachen University
, Kackertstr. 15, D-52072 Aachen, Germany
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Ante Hecimovic;
Ante Hecimovic
4
Institute for Experimental Physics II, Ruhr University Bochum
, D-44801 Bochum, Germany
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Dario Grochla;
Dario Grochla
2
Institute for Materials Science, Ruhr University Bochum
, D-44780 Bochum, Germany
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Detlef Rogalla;
Detlef Rogalla
5
RUBION, Ruhr University Bochum
, D-44801 Bochum, Germany
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Tobias Brögelmann;
Tobias Brögelmann
3
Surface Engineering Institute, RWTH Aachen University
, Kackertstr. 15, D-52072 Aachen, Germany
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Alfred Ludwig
;
Alfred Ludwig
2
Institute for Materials Science, Ruhr University Bochum
, D-44780 Bochum, Germany
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Achim von Keudell;
Achim von Keudell
4
Institute for Experimental Physics II, Ruhr University Bochum
, D-44801 Bochum, Germany
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Kirsten Bobzin;
Kirsten Bobzin
3
Surface Engineering Institute, RWTH Aachen University
, Kackertstr. 15, D-52072 Aachen, Germany
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Jochen M. Schneider
Jochen M. Schneider
1
Materials Chemistry, RWTH Aachen University
, Kopernikusstr. 10, D-52074 Aachen, Germany
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a)
Author to whom correspondence should be addressed: music@mch.rwth-aachen.de
J. Appl. Phys. 121, 215108 (2017)
Article history
Received:
April 20 2017
Accepted:
May 25 2017
Citation
Denis Music, Lars Banko, Holger Ruess, Martin Engels, Ante Hecimovic, Dario Grochla, Detlef Rogalla, Tobias Brögelmann, Alfred Ludwig, Achim von Keudell, Kirsten Bobzin, Jochen M. Schneider; Correlative plasma-surface model for metastable Cr-Al-N: Frenkel pair formation and influence of the stress state on the elastic properties. J. Appl. Phys. 7 June 2017; 121 (21): 215108. https://doi.org/10.1063/1.4985172
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