Year: 1999
Type: article
Abstract: The effects of the method of fabricating thermoelecteric materials, such as sintering or direct fabrication, have been the focus of recent attention. The low-dimensional materials sush as two-dimensional film or skutterudite structure has been made use of recently in the higher performance. A computer simulation by DV-Xα calculation using the molecular orbital method was carried out to investigate the electronic structures related to the thermoelectric properties such as electrical conductivity and the Seebeck coefficient of FeSi2. As regards electrical conductivity, the energy gap was estimated to be 0.53 eV when conventional HOMO and LUMO levels were considered. On the other hand, a new definition was provided for the Seebeck coefficient; it is the energy difference between HOMO and LUMO levels which have the same symmetry at the twofolded- and threefolded-degenerated energy structures. Furthermore, computer simulation and experiment gave the same trends concerning the thermoelectric properties of metal-added materials.
Institutions: Shonan Institute of Technology, Shizuoka University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2606629734