Ab initio calculations and experimental study of piezoelectric YxIn1-xN thin 
films deposited using reactive magnetron sputter epitaxy

Tholander, Christopher; Birch, Jens; Tasnádi, Ferenc; Hultman, Lars; Palisaitis, Justinas; Persson, Per Ola Åke; Jensen, Jens A. D.; Sandström, Per A.; Alling, Björn; Žukauskaitė, Agnė

doi:10.1016/j.actamat.2015.11.050

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Ab initio calculations and experimental study of piezoelectric Y_xIn_1-xN thin films deposited using reactive magnetron sputter epitaxy

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Alling, Björn
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
Department of Physics, Chemistry and Biology (IFM), Thin Film Physics Division, Linköping University, Linköping, Sweden;

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Citation

Tholander, C., Birch, J., Tasnádi, F., Hultman, L., Palisaitis, J., Persson, P. O. Å., et al. (2016). Ab initio calculations and experimental study of piezoelectric Y_xIn_1-xN thin films deposited using reactive magnetron sputter epitaxy. Acta Materialia, 105, 199-206. doi:10.1016/j.actamat.2015.11.050.

Cite as: https://hdl.handle.net/21.11116/0000-0001-B7BD-C

Abstract

By combining theoretical prediction and experimental verification we investigate the piezoelectric properties of yttrium indium nitride (YxIn1-xN). Ab initio calculations show that the YxIn1-xN wurtzite phase is lowest in energy among relevant alloy structures for 0≤x≤0.5. Reactive magnetron sputter epitaxy was used to prepare thin films with Y content up to x=0.51. The composition dependence of the lattice parameters observed in the grown films is in agreement with that predicted by the theoretical calculations confirming the possibility to synthesize a wurtzite solid solution. An AlN buffer layer greatly improves the crystalline quality and surface morphology of subsequently grown YxIn1-xN films. The piezoelectric response in films with x=0.09 and x=0.14 is observed using piezoresponse force microscopy. Theoretical calculations of the piezoelectric properties predict YxIn1-xN to have comparable piezoelectric properties to ScxAl1-xN. © 2015 Acta Materialia Inc.