We present, for the first time, simulations of thermoelectric properties of silicon carbide (SiC) nanowires as a function of the wire cross section at high temperature (500K), based on non-equilibrium classical molecular dynamics simulations for the lattice thermal transport and non-equilibrium green's function for the electrical transport. Our calculations show that figure of merit (ZT) was increasing with decreasing cross section area: ZT of SiC nanowire at 2x2 nm2 has maximum value in the range of 0.65 - 0.89 at 500K, which is 7 - 8 times larger than maximum ZT of SiC thin film value (0.125 at 973 K). These results show that SiC may be a promising material for thermoelectric applications operating at high temperature.
Theoretical Study of Thermoelectric Properties of SiC Nanowires
Pala M;
2012-01-01
Abstract
We present, for the first time, simulations of thermoelectric properties of silicon carbide (SiC) nanowires as a function of the wire cross section at high temperature (500K), based on non-equilibrium classical molecular dynamics simulations for the lattice thermal transport and non-equilibrium green's function for the electrical transport. Our calculations show that figure of merit (ZT) was increasing with decreasing cross section area: ZT of SiC nanowire at 2x2 nm2 has maximum value in the range of 0.65 - 0.89 at 500K, which is 7 - 8 times larger than maximum ZT of SiC thin film value (0.125 at 973 K). These results show that SiC may be a promising material for thermoelectric applications operating at high temperature.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
