Document Type : Original Article

Authors

• Tahereh Shabanzade Hesari ¹
• Mojtaba Ashhadi ²

¹ Researcher in Nano Central, Faculty of science, Ferdowsi University, Mashhad, Iran

² Department of Physics, Faculty of science, University of Sistan and Baluchestan, Zahedan, Iran

Abstract

In this research, electronic and thermoelectric properties of the two-dimensional monolayer of SnN-InO were investigated by using the density functional theory. The SnN-InO nanostructure is a two-dimensional hexagonal thermoelectric material with an indirect band gap of 0.5 eV. Using the electronic structure, we evaluated the thermoelectric transport coefficients such as the Seebeck coefficient which is the major determinant of thermoelectric properties, electrical conductivity, electronic thermal conductivity, and figure of merit. Calculations illustrate the Seebeck coefficient was declining to some extent with increasing temperature, and it has the highest value in the range of Fermi level and negative energies. Another factor to consider is the variations of the figure of merit that are negligible compared to the temperature, so it has undergone changes of about 0.2 in the temperature range of 400K which are reasonable for practical applications. Therefore, the SnN-InO nanostructure can be considered as a qualified thermoelectric material with the figure of merit as 0.9 at room temperature.

Keywords

• The two-dimensional monolayer of SnN-InO
• Density Functional Theory
• Seebeck Coefficient
• Figure of merit,

Main Subjects

• Condensed Matter Physics