Electronic Structure and Spin Transport in Chiral Tellurium Nanowires: Simulations using Relativistic Cylindrical Wave Method

The electron and spin states, as well as the transport properties, of chains Те3, Те4, Те5, and Те6 monoatomic chains with three- and fourfold helical symmetry were calculated using the relativistic symmetrized linearized augmented cylindrical wave method. Qualitative estimates of the spin conductivity and electron transport selectivity were obtained under the assumption that spin and charge transfer predominantly involve electrons in boundary spin states located at the edges of the valence and conduction bands, as well as that the probability of electron tunneling is higher for parallel orientations of the spin and chirality vectors of the material compared to antiparallel orientations. The spin-dependent band structures of the compounds indicate that Te3 chains are more suitable for generating spin currents and for spintronic applications than Te4 chains. By selecting Te4 chains of differing chirality, it is possible to ensure the transport of electrons with opposite spins in opposite directions, which can be used, for example, in the design of spin filters.