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Approach of charge disproportionation in the perovskite oxide TlNiO3 from ab initio electronic structures

✍ Scribed by S.F Matar; G Demazeau; I Presniakov


Book ID
113912777
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
298 KB
Volume
6
Category
Article
ISSN
1293-2558

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Ab Initio Structure Solution of BaFeO2.8
✍ MarΔ±́a InΓ©s GΓ³mez; Gabriela Lucotti; Juana A. de MorΓ‘n; Pedro J. Aymo πŸ“‚ Article πŸ“… 2001 πŸ› Elsevier Science 🌐 English βš– 474 KB

BaFeO 2.8؊ with a crystal structure di4erent from any of those previously reported in the system BaFeO y (2.54y43.0) was prepared by a low-temperature method of synthesis, based on the oxidative thermal decomposition of BaFe[(CN) 5 NO] ' 3H 2 O. The structure was solved ab initio by high-resolution