Spin transport and thermoelectric properties in chiral selenium crystals

Chiral materials, characterized by their nonsuperimposable mirror-image symmetry, introduce a multitude of fascinating phenomena and applications in present-day science. Here we predict the presence of the spin Hall effect (SHE) and current-induced spin polarization (CISP) within chiral selenium crystals, employing symmetry analysis and first-principles computational techniques. Notably, band structure calculations unveiled the presence of Rashba splitting, a manifestation of spin-orbit coupling, in these noninversion-symmetric materials. Moreover, our findings reveal that bulk selenium holds promise as a thermoelectric material by adjusting the carrier concentration accordingly. The ZT value we have obtained for t-Se is similar to that of the layered thermoelectric material SnSe and higher than its t-Te counterpart. The unique properties of chiral Se crystals, such as the Rashba splitting and the emergence of spin-related phenomena, together with their thermoelectric features, hold promise for potential applications of this chiral crystal in emerging technologies.