Density functional theory of the Seebeck coefficient in the Coulomb blockade regime
Density functional theory of the Seebeck coefficient in the Coulomb blockade regime
The Seebeck coefficient plays a fundamental role in identifying the efficiency of a thermoelectric device. Its theoretical evaluation for atomistic models is routinely based on Density Functional Theory calculations combined with the Landauer-B\"uttiker approach to quantum transport. This combination, however, suffers from serious drawbacks for devices in the Coulomb blockade …