• DocumentCode
    2014502
  • Title

    Electronic structure in FeSb2, FeAs2 and FeSi

  • Author

    Madsen, Georg K H ; Bentien, Anders ; Johnsen, Simon ; Iversen, Bo B.

  • Author_Institution
    Dept. of Chem., Aarhus Univ.
  • fYear
    2006
  • fDate
    6-10 Aug. 2006
  • Firstpage
    579
  • Lastpage
    581
  • Abstract
    We have automatized the calculation of band structures. Using a rigid band approach and Boltzmann theory it is possible to calculate the Seebeck coefficient and effective mass of a given compound at varying carrier concentrations. One can therefore rapidly screen a material for potential thermoelectric applications. Thereby thousands of compounds have been screened and several potentially interesting functional materials have been suggested. In this contribution the electronic structure of FeSb2 will be described
  • Keywords
    Seebeck effect; antimony compounds; arsenic compounds; band structure; carrier density; effective mass; electronic structure; iron compounds; silicon compounds; Boltzmann theory; FeAs2; FeSb2; FeSi; Seebeck coefficient; band structures; carrier concentrations; effective mass; electronic structure; rigid band approach; Bonding; Chemicals; Chemistry; Conductivity measurement; Effective mass; Insulation; Iron; Physics; Thermal conductivity; Thermoelectricity;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Thermoelectrics, 2006. ICT '06. 25th International Conference on
  • Conference_Location
    Vienna
  • ISSN
    1094-2734
  • Print_ISBN
    1-4244-0811-3
  • Electronic_ISBN
    1094-2734
  • Type

    conf

  • DOI
    10.1109/ICT.2006.331380
  • Filename
    4133359
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=2014502