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Understanding the valency of rare earths from first-principles theory

✍ Scribed by Strange, P.; Svane, A.; Temmerman, W. M.; Szotek, Z.; Winter, H.


Book ID
109659602
Publisher
Nature Publishing Group
Year
1999
Tongue
English
Weight
109 KB
Volume
399
Category
Article
ISSN
0028-0836

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First-principles electronic structure ca
✍ G. Pari; A. Mookerjee; A.K. Bhattacharya πŸ“‚ Article πŸ“… 2005 πŸ› Elsevier Science 🌐 English βš– 353 KB

The paramagnetic electronic structure calculations of the R 3 Al 5 O 12 (R ¼ Ce2Lu, the rare-earth elements) systems by substituting Y atoms in Y 3 Al 5 O 12 ðYAGÞ with R atoms, using the tight-binding linearized muffin-tin orbital (TB-LMTO) method within local density approximation (LDA) have been