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.
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;
Conference_Titel :
Thermoelectrics, 2006. ICT '06. 25th International Conference on
Conference_Location :
Vienna
Print_ISBN :
1-4244-0811-3
Electronic_ISBN :
1094-2734
DOI :
10.1109/ICT.2006.331380
