%0 Journal Article
%9 Article
%W National Agricultural Library
%~ PubAg
%B Journal of materials science
%T Thermoelectric properties in monolayer [Formula: see text] nanoribbons with Rashba spin–orbit interaction
%A Shokri, Aliasghar
%A Salami, Nadia
%V 2019 v.54 no.1
%K electric field
%K electrical conductivity
%K energy
%K models
%K molybdenum disulfide
%K temperature
%K thermal conductivity
%M 6163767
%X In this work, we present a detailed investigation of the influences of intrinsic spin–orbit coupling (ISOC) as well as Rashba spin–orbit coupling (RSOC) on thermoelectric properties of molybdenum disulfide ([Formula: see text]) nanoribbons with armchair and zigzag edges, theoretically. For this purpose, we generalize the tight-binding model including the effects of the ISOC on all the atoms and a RSOC induced by a vertical electric field. By the calculation of the quantum spin-dependent transmission function from the recursive non-equilibrium Green’s function model using the multi-band Slater–Koster tight-binding method, the electrical and thermal currents flowing to the right lead can be obtained from the Landauer–Büttiker formulae. Hence, the temperature-dependent electrical conductance (G), the thermal conductivity ([Formula: see text]), the Seebeck thermopower (S), and the thermoelectric efficiency (ZT) are discussed. The results predict a noticeable semiconducting behavior with n type, which exhibits a linear temperature dependence of the gap energy for both nanoribbons. The predicted ZT values demonstrate that the [Formula: see text] nanoribbons can be optimized to exhibit very good thermoelectric performance in which its value is not affected under influence of the electric field-induced RSOC in the ZMoS[Formula: see text] nanoribbon (regardless of the AMoS[Formula: see text] nanoribbon). Based on the used model, a large Seebeck coefficient is obtained in both types of the nanoribbons. Our results may be useful in designing novel thermoelectric devices based on two-dimensional materials as one of suitable nanoscale device.
%D 2019
%= 2018-12-01
%G
%8 2019-01
%V v. 54
%N no. 1
%P pp. 467-482
%R 10.1007/s10853-018-2837-8