Abstract
A comparative theoretical study of the electronic and thermoelectric properties of oligo- ferrocene with two and three ferrocene units sandwiched between gold electrodes. These configurations have been investigated in two different configurations stair and flat conformation. In this work, we investigate the spin properties, in addition to thermoelectrical properties for all cases. Our results show that there is a variation in spin properties in both stair and flat cases for dimer and trimer ferrocenes, Moreover, the room temperature electrical conductance in a flat case is higher than a stair- case around Fermi energy; also, the thermopower of these junctions is fairly high, varying about 100 µV/K in both cases. However, the thermoelectric figure of merit ZT of flat case ranging about 0.5 whereas in stair case it ranging between 0.1 to 0.5.
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