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.
Highlights
Spin caloritronics aims to explore the coupling and application of spins and charges with heat currents in materials[1], which has potential applications in future technologies, such as green energy and information science
Cheng et al.[19] used the first-principles method to predict that the two-dimensional dilute magnetic semiconductors (DMSs) were easy to achieve by substitution of Mo with Mn, Fe, Co or Zn atom in monolayer MoS2
The above results indicate that the net spin current is produced at ΔT = 60 K within the TL region (140 K, 150 K), and the total charge current is well suppressed
Summary
The Perdew-Burke-Ernzernhof (PBE)[35] spin-polarized generalized gradient approximation (SGGA) was used for the School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan, 430074, China. Exchange-correlation potential, and the valence electronic orbitals were expanded in double-polarized basis set. Here σ (=↑, ↓) denotes the spin index, and μL/R is the electrochemical potential for source/drain. The magnetization of the left and right electrodes can be aligned in parallel (P) or antiparallel (AP) spin configuration by a sufficiently strong external magnetic field. The P and AP spin configurations were both considered. The total energy of AP spin configuration was 0.88 meV less than that of the P spin configuration per unit cell
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