Abstract
CaMnO3 (CMO) thermoelectric material is large Seebeck coefficient but high electrical resistivity. To reduce electrical resistivity by adding carbon nanotubes (CNTs) in CMO material and may be decreased Seebeck coefficient. In this work, we simulated electronic structure of CMO and CNTs-added CMO by DV-Xα method to investigation of power factor and enhance the thermoelectric performance. The Seebeck coefficient and electrical resistivity were calculated by Maxwell-Boltzmann distribution and Mott’s law to investigate power factor. The DV-Xa calculated show the energy level and density of state (DOS) of CMO and CNTs-added CMO demonstrated that the energy gap reduces from 3.33 eV to 0.19 eV affect to enhance the power factor of CMO with Seebeck coefficient and electrical resistivity are decreases. The power factor of CNTs-added CMO was increased with increasing CNTs content.
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