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author:

Liu, Xue-Hua (Liu, Xue-Hua.) [1] | Liu, Yu-Ru (Liu, Yu-Ru.) [2] | Wang, Xin (Wang, Xin.) [3] (Scholars:王欣) | Deng, Fen-Yong (Deng, Fen-Yong.) [4] | Tang, Dian (Tang, Dian.) [5] (Scholars:唐电)

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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.

Keyword:

Local density approximation Oxide minerals Ruthenium alloys Solid solutions Tin

Community:

  • [ 1 ] [Liu, Xue-Hua]College of Material Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 2 ] [Liu, Yu-Ru]College of Material Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 3 ] [Wang, Xin]College of Material Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 4 ] [Deng, Fen-Yong]College of Material Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 5 ] [Tang, Dian]College of Material Science and Engineering, Fuzhou University, Fuzhou 350108, China
  • [ 6 ] [Tang, Dian]Institute for Materials Research, Fuzhou University, Fuzhou 350108, China

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Source :

Transactions of Materials and Heat Treatment

ISSN: 1009-6264

CN: 11-4545/TG

Year: 2013

Issue: SUPPL.2

Volume: 34

Page: 248-252

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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