Abstract
Two-dimensional (2D) transition metal phosphorus-sulfur compounds (TMPS 4 ) have attracted great theoretical and experimental attention because of their broadband modulation and high hole mobility that can be used in nanodevices. Therefore, their Curie temperature and thermal properties deserve further study for applications in electronic devices. The electromagnetic properties and spin transport properties of 2D transition metal phosphorus-sulfur compounds are systematically investigated by density functional theory (DFT) and DFT combined with the nonequilibrium Green's function method. We find that TMPS 4 materials cover almost all spin electronic behaviors, including half-metals, magnetic and nonmagnetic semiconductors, and metals. The simulation results show that the magnetic tunnel junction constructed based on TMPS 4 has a perfect thermal spin filtering effect and a negative differential resistance effect. Especially, we obtain up to 10 10 % thermal colossal magnetoresistance and almost 100% spin polarization, as well as a high current on/off ratio of ∼10 7 . Based on these results, it is proved that TMPS 4 can be a substrate material for the development of high performance for spin-caloritronic and spintronic devices.
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