Excellent spin diode and spin-dependent Seebeck effects in hetero-junctions based on ferromagnetic Cr₃M₄ (M = Se, Te)

Ferromagnetic (FM) half-metals have been regarded as the most promising candidates for spin injection into semiconductors due to their completely spin-polarized electronic states around the Fermi level. To explore the potential application of Cr3M4 (M = Se, Te) in spintronic devices, which are experimentally synthesized FM bulks as well as half-metallic monolayers with high Curie temperature, we propose to design a Bi2Se3/Cr3Se4 van der Waals hetero-junction and a 2D Cr3S4/Cr3Te4 hetero-junction motivated by the recent report on controlling synthesis of Cr x M y based heterostructures. First-principles calculations combined with non-equilibrium Green's function uncover the perfect spin filtering and spin diode effect in Bi2Se3/Cr3Se4 van der Waals hetero-junction. More interestingly, the Cr3S4/Cr3Te4 hetero-junction shows an excellent spin-dependent Seebeck effect, in which spin-dependent currents with opposite spin orientation can be driven by a temperature gradient to flow in the opposite transport direction. These effects can be understood from the calculated spin-dependent band structures and transmission spectrum. Our results put forward a promising designing and application of spintronic devices based on Cr3M4 (M = Se, Te) FM materials.