Enhanced thermoelectric efficiency in ferromagnetic silicene nanoribbons asymmetrically terminated with hydrogen atoms

Abstract

Using ab-initio methods we calculate thermoelectric and spin thermoelectric properties of silicene nanoribbons with bare, mono-hydrogenated and di-hydrogenated edges. Asymmetric structures, in which one edge is either bare or di-hydrogenated while the other edge is mono-hydrogenated (0H-1H and 2H-1H nanoribbons) have ferromagnetic ground state and display remarkable conventional and spin thermoelectric properties. Strong enhancement of the thermoelectric efficiency, both conventional and spin ones, results from a very specific band structure of such nanoribbons, where one spin channel is blocked due to an energy gap while the other spin channel is highly conducting. In turn, 0H-2H and 2H-2H nanoribbons (with one edge being either bare or di-hydrogenated and the other edge being di-hydrogenated) are antiferromagnetic in the ground state. Accordingly, the corresponding spin channels are equivalent, and only conventional thermoelectric effects can occur in these nanoribbons.

References in corpus (6)

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Cited by in corpus (4)

• Introduction to the Physics of Silicene and other 2D Materials
• Spin-polarised DFT modeling of electronic, magnetic, thermal and optical properties of silicene doped with transition metals
• Vacancy tuned thermoelectric properties and high spin filtering performance in graphene/silicene heterostructures
• Zigzag nanoribbons of two-dimensional hexagonal crystals: magnetic, topological and thermoelectric properties