Spin-dependent thermoelectric effects in Fe-C6 doped monolayer MoS2

Abstract

By using the non-equilibrium Green’s function with density functional theory, we have studied the thermal spin transport properties of Fe-C6 cluster doped monolayer MoS2. The results show that the device has a perfect Seebeck effect under temperature difference without gate voltage or bias voltage. Moreover, we also find the thermal colossal magnetoresistance effect, which is as high as 107%. The competition between spin up electrons and spin down holes of the parallel spin configuration leads to peculiar behavior of colossal magnetoresistance and thermo-current, which is essential for the design of thermal transistors. These results are useful in future MoS2-based multifunctional spin caloritronic devices.

Theoretical design of thermal spin molecular logic gates by using a combinational molecular junction

“…[17][18][19][20] This methodology has been widely adopted to deal with the thermally-driven spin-dependent transport properties in molecular junctions. [21][22][23][24][25] The exchange-correlation energy is treated by the spin generalized gradient approximation (SGGA) with the Perdew-Burke-Ernzerhof (PBE) functional. [26] To ensure the computational accuracy, the wavefunction of valence electrons are expanded by the doubleζ plus polarization (DZP) basis set, while the electronion interactions are modeled by the Troullier-Martins normconserving pseudopotentials.…”

The Spin-Dependent Properties of Silicon Carbide/Graphene Nanoribbons Junctions with Vacancy Defects

“…Finding and developing materials and devices with charge-and spin-dependent thermoelectric performance are attractive for many theoretical and experimental researchers in nanoelectronics and spintronics fields [1][2][3][4][5]. In fact, highly efficient charge-dependent thermoelectric materials can be used as the energy convertor from a waste thermal energy to a useful electrical form.…”

The spin-dependent properties of silicon carbide/graphene nanoribbons junctions with vacancy defects

“…Finding and developing materials and devices with charge- and spin-dependent thermoelectric performance are attractive for many theoretical and experimental researchers in nanoelectronics and spintronics fields 1 – 5 . In fact, highly efficient charge-dependent thermoelectric materials can be used as the energy convertor from a waste thermal energy to a useful electrical form.…”

“…Recently, a spin thermoelectric efficient device has been modelled by twisting the triangular π-dimer junctions 8 . Although single-molecular junctions are good candidates for high-efficient thermoelectric and spin-filtering devices 9 , one-dimensional junctions are interesting for their outstanding thermoelectric properties 2 , 3 , 5 , 6 . For example; it is theoretically predicted that a twisting bilayer graphene nanoribbon has a good thermoelectric efficiency 10 .…”