Electronic and Structural Effects of Nit
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Hassan Rabaâ; Roald Hoffmann
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Article
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1999
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Elsevier Science
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English
⚖ 491 KB
Electronic and structural in6uences on ionic conductivity in the crystalline lithium phosphorus oxynitrides -Li 3 PO 4 and Li 2.88 PO 3.73 N 0.14 are analyzed, using approximate molecular orbital calculations. Starting from -Li 3 PO 4 , we construct a model compound for the new nonstoichiometric oxy