Thermoelectric effects in silicene nanoribbons

K. Zberecki, M. Wierzbicki, J. Barnaś, R. Świrkowicz

Physical Review B · 2013 · 137 citations · 54 references

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TL;DR

The study investigates transport and thermoelectric coefficients, including spin thermopower, of zigzag‑edge silicene nanoribbons and analyzes thermoelectric parameters in antiparallel spin configurations. Ab initio numerical methods were employed to compute transport and thermoelectric properties, while the phonon contribution to heat conductance was evaluated using two distinct numerical approaches. Local spin density calculations reveal edge magnetism in silicene nanoribbons, with antiferromagnetic and ferromagnetic ordering producing spin‑polarized edges; the Seebeck coefficient is strongly enhanced within the band gap but overall thermoelectric efficiency drops when phonon heat conductance is included, and switching between AFM and FM states yields large magnetoresistance and magnetothermopower.

Abstract

Transport and thermoelectric coefficients (including also spin thermopower) of silicene nanoribbons with zigzag edges are investigated by ab initio numerical methods. Local spin density of such nanoribbons reveals edge magnetism. As in graphene, one finds antiferromagnetic and ferromagnetic ordering, with spin polarization at one edge antiparallel or parallel to that at the other edge, respectively. Thermoelectric properties, especially the Seebeck coefficient, significantly depend on the electronic band structure and are enhanced when the Fermi level is in the energy gap. However, the thermoelectric efficiency is significantly reduced when the phonon contribution to the heat conductance is included. This phonon contribution has been calculated numerically by two different methods. Transition from antiferromagnetic to ferromagnetic states leads to a large magnetoresistance as well as to a considerable magnetothermopower. Thermoelectric parameters in the antiparallel configuration, when spin polarization in the left part of the nanoribbon is opposite to that in the right part, are also analyzed.

References

54