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Origin of the Anomalous Piezoelectric Response in Wurtzite ScxAl1-xN Alloys
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
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2010 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 104, no 13, 137601- p.Article in journal (Refereed) Published
Abstract [en]

The origin of the anomalous, 400% increase of the piezoelectric coefficient in ScxAl1-xN alloys is revealed. Quantum mechanical calculations show that the effect is intrinsic. It comes from a strong change in the response of the internal atomic coordinates to strain and pronounced softening of C-33 elastic constant. The underlying mechanism is the flattening of the energy landscape due to a competition between the parent wurtzite and the so far experimentally unknown hexagonal phases of the alloy. Our observation provides a route for the design of materials with high piezoelectric response.

Place, publisher, year, edition, pages
American Physical Society , 2010. Vol. 104, no 13, 137601- p.
Keyword [en]
ScAlN, ScN, AlN, nitrides, first-principles, piezoelectricity, phase competition, elastic constants, piezoelectric constants
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-54850DOI: 10.1103/PhysRevLett.104.137601ISI: 000276260800048OAI: oai:DiVA.org:liu-54850DiVA: diva2:310866
Note
Original Publication: Ferenc Tasnadi, Björn Alling, Carina Höglund, Gunilla Wingqvist, Jens Birch, Lars Hultman and Igor Abrikosov, Origin of the Anomalous Piezoelectric Response in Wurtzite ScxAl1-xN Alloys, 2010, PHYSICAL REVIEW LETTERS, (104), 13, 137601. http://dx.doi.org/10.1103/PhysRevLett.104.137601 Copyright: American Physical Society http://www.aps.org/ Available from: 2010-04-16 Created: 2010-04-16 Last updated: 2017-12-12

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Tasnadi, FerencAlling, BjörnHöglund, CarinaWingqvist, GunillaBirch, JensHultman, LarsAbrikosov, Igor

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Tasnadi, FerencAlling, BjörnHöglund, CarinaWingqvist, GunillaBirch, JensHultman, LarsAbrikosov, Igor
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