A. F. Lima, S. O. Souza, M. Lalic
Mar 1, 2008
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Journal
Optical Materials
Abstract
Abstract The spodumene (LiAlSi2O6) is a natural silicate with monoclinic structure, interesting for a jewel industry and possible application as a scintillator. In this paper we present the electronic structure and some of the basic optical properties of the pure spodumene crystal, as calculated by the first-principles, density functional based, full potential linear augmented plane wave method.