Journal
OPTICAL MATERIALS
Volume 30, Issue 7, Pages 1048-1051Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.optmat.2007.05.009
Keywords
optical absorption; spodumene; electronic structure
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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. (c) 2007 Elsevier B.V. All rights reserved.
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