Lattice dynamics of lithium oxide

Autor: S. L. Chaplot, Narayani Choudhury, Prabhatasree Goel
Rok vydání: 2004
Předmět:
Zdroj: Pramana. 63:409-412
ISSN: 0973-7111
0304-4289
DOI: 10.1007/bf02705007
Popis: Li2O finds several important technological applications, as it is used in solid-state batteries, can be used as a blanket breeding material in nuclear fusion reactors, etc. Li2O exhibits a fast ion phase, characterized by a thermally induced dynamic disorder in the anionic sub-lattice of Li+, at elevated temperatures around 1200 K. We have carried out lattice-dynamical calculations of Li2O using a shell model in the quasi-harmonic approximation. The calculated phonon frequencies are in excellent agreement with the reported inelastic neutron scattering data. Thermal expansion, specific heat, elastic constants and equation of state have also been calculated which are in good agreement with the available experimental data.
Databáze: OpenAIRE
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