Electronic structure and transport properties of SrAl2Si 2: Effect of yttrium substitution

C. S. Lue, C. P. Fang, A. C. Abhyankar, J. W. Lin, H. W. Lee, C. M. Chang, Y. K. Kuo

研究成果: Article同行評審

6 引文 斯高帕斯(Scopus)

摘要

We report the results of yttrium substitution on the electrical resistivity (ρ), the thermal conductivity (κ), as well as the Seebeck coefficient (S) of the Sr1-xYxAl2Si2 alloys with 0 ≤ x ≤ 0.20. Both ρ(T) and S(T) data suggest that SrAl 2Si2 is a semimetallic, low charge carrier density system with a pseudogap at the Fermi level density of states (DOS). Upon substituting Y onto the Sr sites, the electrical resistivity and the absolute value of the Seebeck coefficient decrease significantly. Such an observation can be associated with the modification of the electronic band structure due to electron doping via Y substitution. Analysis of the thermal conductivity reveals the contribution of various thermal scattering mechanisms through chemical substitution. Theoretical studies with density functional theory are also employed to investigate the electronic band structure of Sr1-xY xAl2Si2. It is revealed that SrAl 2Si2 possesses a shallow DOS at the Fermi level with both n-type and p-type charge carriers. Upon Y substitution a shift in the Femi level occurs such that the Sr1-xYxAl2Si2 system becomes more metallic with increasing x, being consistent with the experimental findings.

原文English
頁(從 - 到)1448-1454
頁數7
期刊Intermetallics
19
發行號10
DOIs
出版狀態Published - 2011 十月

All Science Journal Classification (ASJC) codes

  • 化學 (全部)
  • 材料力學
  • 機械工業
  • 金屬和合金
  • 材料化學

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