Elastic and electronic properties of PbO-type FeSe1-xTex (x = 0 - 1.0): A first-principles study

Details Elastic and electronic properties of PbO-type FeSe1-xTex (x = 0 - 1.0): A first-principles study Elastic and electronic properties of PbO-type FeSe1-xTex (x = 0 - 1.0): A first-principles study

2010-08-09

arxiv.org/abs/1008.1448v1

Physics

Condensed Matter

Superconductivity

11 pages, 5 figures

Scientific paper

The effect of doping on electronic and other related properties of PbO-type FeSe1-xTex has been investigated theoretically using density functional method. The elastic properties for mono- and poly-crystalline FeSe1-xTex system are predicted for the first time and the results discussed. Analysis of doping dependent band characteristics in conjunction with previous studies reveal that favorable nesting of Fermi surface indicates a possible basis for understanding why Tc in FeSe1-xTex is maximum for x ~ 0.5. Keywords: FeSe superconductors, Substitution effect, Elastic properties, Electronic properties. PACS: 74.62.Dh, 74.70.Dd, 74.20.Pq, 74.25.Ld

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