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First-principles Study of NiAl Alloyed with Rare Earth Element Ce

✍ Scribed by You Wang; Junqi He; Mufu Yan; Chonggui Li; Liang Wang; Ye Zhou


Book ID
117695154
Publisher
Allerton Press Inc
Year
2011
Tongue
English
Weight
512 KB
Volume
27
Category
Article
ISSN
1005-0302

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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