Theory-Guided Synthesis of a Metastable Lead-Free Piezoelectric Polymorph.

Autor: Garten LM; National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO, 80401, USA., Dwaraknath S; Lawrence Berkeley National Laboratory/University of California Berkeley, Berkeley, CA, 94704, USA., Walker J; Lawrence Berkeley National Laboratory/University of California Berkeley, Berkeley, CA, 94704, USA., Mangum JS; Colorado School of Mines, Golden, CO, 80401, USA., Ndione PF; National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO, 80401, USA., Park Y; Department of Materials Science and Engineering and Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USA., Beaton DA; National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO, 80401, USA., Gopalan V; Department of Materials Science and Engineering and Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USA., Gorman BP; Department of Materials Science and Engineering and Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USA., Schelhas LT; Applied Energy Programs, SLAC National Accelerator Laboratory, Menlo Park, CA, 94025, USA., Toney MF; Applied Energy Programs, SLAC National Accelerator Laboratory, Menlo Park, CA, 94025, USA.; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA, 94025, USA., Trolier-McKinstry S; Department of Materials Science and Engineering and Materials Research Institute, The Pennsylvania State University, University Park, PA, 16802, USA., Persson KA; Lawrence Berkeley National Laboratory/University of California Berkeley, Berkeley, CA, 94704, USA.; Department of Materials Science and Engineering, Hearst Mining Memorial Building, UC Berkeley, Berkeley, CA, 94720, USA., Ginley DS; National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO, 80401, USA.
Jazyk: angličtina
Zdroj: Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2018 Jun; Vol. 30 (25), pp. e1800559. Date of Electronic Publication: 2018 May 10.
DOI: 10.1002/adma.201800559
Abstrakt: Many technologically critical materials are metastable under ambient conditions, yet the understanding of how to rationally design and guide the synthesis of these materials is limited. This work presents an integrated approach that targets a metastable lead-free piezoelectric polymorph of SrHfO 3 . First-principles calculations predict that the previous experimentally unrealized, metastable P4mm phase of SrHfO 3 should exhibit a direct piezoelectric response (d 33 ) of 36.9 pC N -1 (compared to d 33 = 0 for the ground state). Combining computationally optimized substrate selection and synthesis conditions lead to the epitaxial stabilization of the polar P4mm phase of SrHfO 3 on SrTiO 3 . The films are structurally consistent with the theory predictions. A ferroelectric-induced large signal effective converse piezoelectric response of 5.2 pm V -1 for a 35 nm film is observed, indicating the ability to predict and target multifunctionality. This illustrates a coupled theory-experimental approach to the discovery and realization of new multifunctional polymorphs.
(© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)
Databáze: MEDLINE
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