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

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

preprint2010arXivOpen access
S. ChandraA. K. M. A. Islam
cond-mat.supr-con
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Open access2 authors1 topic
Imported metadata coverageMissing code, dataset, citation and institution fields are tracked without dominating the paper.Details
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S. ChandraA. K. M. A. Islam

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