Real-time atomistic observation of structural phase transformations in individual hafnia nanorods

Hudak, Bethany M.; Depner, Sean W.; Waetzig, Gregory R.; Talapatra, Anjana; Arroyave, Raymundo; Banerjee, Sarbajit; Guiton, Beth S.

doi:10.1038/ncomms15316

Title: Real-time atomistic observation of structural phase transformations in individual hafnia nanorods

Journal Article · Fri May 12 00:00:00 EDT 2017 · Nature Communications

DOI:https://doi.org/10.1038/ncomms15316· OSTI ID:1376500

Hudak, Bethany M. ^[1]; Depner, Sean W. ^[2]; Waetzig, Gregory R. ^[3]; Talapatra, Anjana ^[4]; Arroyave, Raymundo ^[4]; Banerjee, Sarbajit ^[3]; Guiton, Beth S. ^[5]

Univ. of Kentucky, Lexington, KY (United States). Dept. of Chemistry
Univ. at Buffalo, NY (United States). Dept. of Chemistry
Texas A & M Univ., College Station, TX (United States). Dept. of Chemistry. Dept. of Materials Science and Engineering
Texas A & M Univ., College Station, TX (United States). Dept. of Materials Science and Engineering
Univ. of Kentucky, Lexington, KY (United States). Dept. of Chemistry; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division

High-temperature phases of hafnium dioxide have exceptionally high dielectric constants and large bandgaps, but quenching them to room temperature remains a challenge. Scaling the bulk form to nanocrystals, while successful in stabilizing the tetragonal phase of isomorphous ZrO₂, has produced nanorods with a twinned version of the room temperature monoclinic phase in HfO₂. Here we use in situ heating in a scanning transmission electron microscope to observe the transformation of an HfO₂ nanorod from monoclinic to tetragonal, with a transformation temperature suppressed by over 1000°C from bulk. When the nanorod is annealed, we observe with atomic-scale resolution the transformation from twinned-monoclinic to tetragonal, starting at a twin boundary and propagating via coherent transformation dislocation; the nanorod is reduced to hafnium on cooling. Unlike the bulk displacive transition, nanoscale size-confinement enables us to manipulate the transformation mechanism, and we observe discrete nucleation events and sigmoidal nucleation and growth kinetics.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Aeronautics and Space Administration (NASA); National Science Foundation (NSF); US Air Force Office of Scientific Research (AFOSR)

Contributing Organization:: Univ. at Buffalo, NY (United States)

Grant/Contract Number:: AC05-00OR22725; NNX10AL96H; DMR-1504702; DMR-1455154; CMMI-1534534; FA9550-16-1-0180

OSTI ID:: 1376500

Journal Information:: Nature Communications, Vol. 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 52 works

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