Origin of the anomalous piezoelectric response in wurtzite Sc$_x$Al$_{1-x}$N alloys

Details Origin of the anomalous piezoelectric response in wurtzite Sc$_x$Al$_{1-x}$N alloys Origin of the anomalous piezoelectric response in wurtzite Sc$_x$Al$_{1-x}$N alloys

2010-03-17

arxiv.org/abs/1003.3353v1

Phys. Rev. Lett. 104, 137601 (2010)

Physics

Condensed Matter

Materials Science

10 pages, 4 figures, accepted for publication in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.104.137601

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 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.

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