Your browser doesn't support javascript.
loading
Structural phase purification of bulk HfO2:Y through pressure cycling.
Musfeldt, J L; Singh, Sobhit; Fan, Shiyu; Gu, Yanhong; Xu, Xianghan; Cheong, S-W; Liu, Z; Vanderbilt, David; Rabe, Karin M.
Afiliación
  • Musfeldt JL; Department of Chemistry, University of Tennessee, Knoxville, TN 37996.
  • Singh S; Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996.
  • Fan S; Department of Mechanical Engineering, University of Rochester, Rochester, NY 14627.
  • Gu Y; Materials Science Program, University of Rochester, Rochester, NY 14627.
  • Xu X; National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973.
  • Cheong SW; Department of Chemistry, University of Tennessee, Knoxville, TN 37996.
  • Liu Z; Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854.
  • Vanderbilt D; Rutgers Center for Emergent Materials, Rutgers University, Piscataway, NJ 08854.
  • Rabe KM; Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854.
Proc Natl Acad Sci U S A ; 121(5): e2312571121, 2024 Jan 30.
Article en En | MEDLINE | ID: mdl-38266049
ABSTRACT
We combine synchrotron-based infrared absorption and Raman scattering spectroscopies with diamond anvil cell techniques and first-principles calculations to explore the properties of hafnia under compression. We find that pressure drives HfO[Formula see text]7%Y from the mixed monoclinic ([Formula see text]) [Formula see text] antipolar orthorhombic ([Formula see text]) phase to pure antipolar orthorhombic ([Formula see text]) phase at approximately 6.3 GPa. This transformation is irreversible, meaning that upon release, the material is kinetically trapped in the [Formula see text] metastable state at 300 K. Compression also drives polar orthorhombic ([Formula see text]) hafnia into the tetragonal ([Formula see text]) phase, although the latter is not metastable upon release. These results are unified by an analysis of the energy landscape. The fact that pressure allows us to stabilize targeted metastable structures with less Y stabilizer is important to preserving the flat phonon band physics of pure HfO[Formula see text].
Palabras clave
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos