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Using first-principles approaches, we have investigated the thermoelectric properties and the energy conversion efficiency of the paired metal-Br-Al junction. Owing to the narrow states in the vicinity of the chemical potential, the nanojunction has large Seebeck coefficients such that it can be considered an efficient thermoelectric power generator. We also consider the nanojunction in a three-terminal geometry, where the current, voltage, power, and efficiency can be efficiently modulated by the gate voltages. Such current-voltage characteristics could be useful in the design of nano-scale electronic devices such, as a transistor or switch. Notably, the nanojunction as a transistor with a fixed finite temperature difference between electrodes can power itself using the Seebeck effect.

Atomic-Scale Field-Effect Transistor as a Thermoelectric Power Generator and Self-Powered Device