First-principles electronic structure ca
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G. Pari; A. Mookerjee; A.K. Bhattacharya
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Article
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2005
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Elsevier Science
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English
β 353 KB
The paramagnetic electronic structure calculations of the R 3 Al 5 O 12 (R ΒΌ Ce2Lu, the rare-earth elements) systems by substituting Y atoms in Y 3 Al 5 O 12 Γ°YAGΓ with R atoms, using the tight-binding linearized muffin-tin orbital (TB-LMTO) method within local density approximation (LDA) have been