Anisotropic thermal expansion in the silicate-eucryptite: A neutron diffraction and density functional study

A. Lichtenstein, R. Jones, H. Xu, P. Heaney

Research output: Contribution to journalArticlepeer-review

49 Scopus citations

Abstract

The highly anisotropic thermal expansion in the hexagonal silicate (Formula presented)-eucryptite (Formula presented) has been investigated using neutron diffraction measurements (for temperatures from 20 to 873 K) and density functional calculations. The agreement between theory and experiment is very good, and the main features of the expansion can be explained by anomalies in the phonon spectrum. The low-(Formula presented) minimum of the lattice constant perpendicular to the hexagonal axis can be attributed to an additional “chemical invar” mechanism arising from the double-well energy surface of the Li ions that is also evident in the order-disorder transition in the material.

Original languageEnglish (US)
Pages (from-to)6219-6223
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume58
Issue number10
DOIs
StatePublished - 1998

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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