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Theoretical study of the band structure of oxides crystallizing in the rocksalt structure: TiO

✍ Scribed by J.M. Honig; W.E. Wahnsiedler; J.O. Dimmock


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
716 KB
Volume
5
Category
Article
ISSN
0022-4596

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Theoretical Study of the Intercalation of Li into TiO 2 Structures. -First principles LAPW (linearized augmented plane wawe) and semiempirical EHT methodology is used to characterize the bonding in LiTi 2 O 4 (spinel) and LiTiO 2 (trigonal) as well as the corresponding Li-extracted TiO 2 structures.