Portal de Periódicos da CAPES

Inelastic neutron scattering and lattice-dynamics studies of almandine Fe 3 Al 2 Si</mml:mi…

2000; American Physical Society; Volume: 61; Issue: 6 Linguagem: Inglês

10.1103/physrevb.61.3983

1095-3795

R. Mittal, S. L. Chaplot, N. Choudhury, C.-K. Loong,

Glass properties and applications

This paper reports detailed lattice dynamical studies involving experimental inelastic neutron-scattering measurements and theoretical shell model calculations of the vibrational and thermodynamic properties of the garnet mineral almandine ${\mathrm{Fe}}_{3}{\mathrm{Al}}_{2}{\mathrm{Si}}_{3}{\mathrm{O}}_{12}.$ Inelastic neutron-scattering studies using the time-of-flight technique provide the measurement of the phonon density of states (DOS) of almandine, which have been interpreted based on the model calculations. The calculated DOS is in good agreement with the inelastic neutron-scattering data and has been used to compute various macroscopic properties like the specific heat, thermal expansion, equation of state, and mean-square atomic displacements.