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Abstract:
The rutile SnxRu1-xO2 (0≤x≤1) structures were calculated by the first-principles on density functional theory (DFT) and optimized by local density approximation (LDA). The changes in the lattice parameters with the increase of tin were shown. A function between the cell volume(V) and the solid solubility(x) could be fitted, and then the precise researches on the structures of SnxRu1-xO2 solid solutions could be realized, which are in good agreement with the practical results.
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Transactions of Materials and Heat Treatment
ISSN: 1009-6264
CN: 11-4545/TG
Year: 2013
Issue: SUPPL.2
Volume: 34
Page: 248-252
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ESI Highly Cited Papers on the List: 0 Unfold All
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Chinese Cited Count:
30 Days PV: 1
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