Spin thermoelectric transport of Co-salophene with borophene nanoribbon electrodes

Abstract

As a new member of the two-dimensional material family, borophene exhibits extremely low thermal conductivity which is beneficial to the efficiency of the Seebeck effect in thermoelectric devices. We have investigated the spin-dependent thermoelectric transport in a Co-salophene molecule sandwiched between two semi-infinite borophene nanoribbon electrodes based on the density functional theory and nonequilibrium Green's function method. The electric currents show excellent spin-filter efficiency when the applied bias exceeds 0.3 V. When a temperature gradient is applied between two leads, the spin-up and spin-down thermoelectric currents flow in opposite directions and both of them increase linearly with the increasing temperature gradient. Moreover, large Seebeck polarization and spin figure of merit can be obtained in a wide range of reference temperatures, which suggests the potential application of magnetic molecular devices with borophene electrodes in spin caloritronics.