Published May 1, 1993 | Version v1
Journal article Metadata-only

Atomic thermal parameters and thermodynamic functions for corundum (α-Al2O3) and bromellite (BeO): a lattice-dynamical estimate

Creators

  • 1. CNR, Centro per lo Studio delle Relazioni tra Struttura e Reattivita Chimica, Milan (Italy)
  • 2. Ist. di Chimica Strutturistica Inorganica, Univ. degli Studi, Milan (Italy)
  • 3. Dipt. di Scienze della Terra, Sezione di Mineralogia, Univ. degli Studi, Milan (Italy)

Description

A harmonic valence-force-field rigid-ion lattice-dynamical model fitted to Raman and IR spectral data and extended throughout the whole Brillouin zone has been used to calculate the atomic displacement parameters, entropy and molar heat capacity for corundum (α-Al2O3) and bromellite (BeO). The agreement with experimental data is good. (orig.)

Additional details

Publishing Information

Journal Title
Acta Crystallographica. Section A: Foundations of Crystallography
Journal Volume
49
Journal Issue
3
Journal Page Range
p. 473-480.
ISSN
0108-7673
CODEN
ACACEQ

INIS

Country of Publication
Denmark
Country of Input or Organization
Denmark
INIS RN
24074369
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
ALUMINIUM OXIDES; BERYLLIUM OXIDES; BRILLOUIN ZONES; CORUNDUM; ENTROPY; INFRARED SPECTRA; LATTICE VIBRATIONS; PHONONS; RAMAN SPECTRA; SPECIFIC HEAT; TEMPERATURE DEPENDENCE; THERMODYNAMIC PROPERTIES
Descriptors DEC
ALKALINE EARTH METAL COMPOUNDS; ALUMINIUM COMPOUNDS; BERYLLIUM COMPOUNDS; CHALCOGENIDES; MINERALS; OXIDE MINERALS; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; QUASI PARTICLES; SPECTRA; ZONES