title: Origin of the anomalous piezoelectric response in wurtzite Sc(x)Al(1-x)N alloys.
abstract: The origin of the anomalous, 400% increase of the piezoelectric coefficient in Sc(x)Al(1-x)N 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 C33 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.
authors.affiliation: Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden. tasnadi@ifm.liu.se
authors.forename: Ferenc
authors.initials: F
authors.lastname: Tasnádi
authors.forename: Björn
authors.initials: B
authors.lastname: Alling
authors.forename: Carina
authors.initials: C
authors.lastname: Höglund
authors.forename: Gunilla
authors.initials: G
authors.lastname: Wingqvist
authors.forename: Jens
authors.initials: J
authors.lastname: Birch
authors.forename: Lars
authors.initials: L
authors.lastname: Hultman
authors.forename: Igor A
authors.initials: IA
authors.lastname: Abrikosov