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Title: Phonon scattering mechanisms dictating the thermal conductivity of lead zirconate titanate (PbZr 1- xTi xO 3) thin films across the compositional phase diagram

This paper represents a thorough investigation of the thermal conductivity (κ) in both thin film and bulk PbZr 1–xTi xO 3 (PZT) across the compositional phase diagram. Given the technological importance of PZT as a superb piezoelectric and ferroelectric material in devices and systems impacting a wide array of industries, this research serves to fill the gap in knowledge regarding the thermal properties. The thermal conductivities of both thin film and bulk PZT are found to vary by a considerable margin as a function of composition x. Additionally, we observe a discontinuity in κ in the vicinity of the morphotropic phase boundary (MPB, x = 0.48) where there is a 20%–25% decrease in κ in our thin film data, similar to that found in literature data for bulk PZT. The comparison between bulk and thin film materials highlights the sensitivity of κ to size effects such as film thickness and grain size even in disordered alloy/solid-solution materials. A model for the thermal conductivity of PZT as a function of composition (κ(x)) is presented, which enables the application of the virtual crystal approximation for alloy-type material systems with very different crystals structures, resulting in differing temperature trends for κ. We showmore » that in the case of crystalline solid-solutions where the thermal conductivity of one of the parent materials exhibits glass-like temperature trends the compositional dependence of thermal conductivity is relatively constant for most values of x. Finally, this is in stark contrast with the typical trends of thermal conductivity with x in alloys, where the thermal conductivity increases dramatically as the composition of the alloy or solid-solution approaches that of a pure parent materials (i.e., as x = 0 or 1).« less
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  1. Univ. of Virginia, Charlottesville, VA (United States). Dept. of Mechanical and Aerospace Engineering
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  3. Colorado School of Mines, Golden, CO (United States). Dept. of Metallurgical and Materials Engineering
Publication Date:
Report Number(s):
Journal ID: ISSN 0021-8979; 655303
Grant/Contract Number:
AC04-94AL85000; FA9550-14-1-0067
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 121; Journal Issue: 20; Journal ID: ISSN 0021-8979
American Institute of Physics (AIP)
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Univ. of Virginia, Charlottesville, VA (United States)
Sponsoring Org:
USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); US Air Force Office of Scientific Research (AFOSR)
Contributing Orgs:
Colorado School of Mines, Golden, CO (United States)
Country of Publication:
United States
36 MATERIALS SCIENCE; Thermal conductivity; Lead zirconate titanate; Phonons; Computer modeling; Piezoelectric transducers
OSTI Identifier: