Document Type : Research

Authors

• Asghar Ghaderi ¹
• arash boochani ²
• Alireza Hojabri ¹
• Fatemeh Hajakbari ³

¹ Department of Physics, Karaj Branch, Islamic Azad University, Karaj, iran

² Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran.

³ Department of physics, Karaj Branch,Islamic Azad University, Karaj, Iran

Abstract

Based on density functional theory calculations, the electronic, optical and thermoelectric properties of WSe2(8,0) and WSeS(8,0) nanotubes have been investigated. The WSe2(8,0) nanotube has 0.2eV energy gap, and this gap is reduced by adding a Se atom in it. The band structure shows that WSe2(8,0) nanotube is p-type semiconductor and WSeS(8,0) compound is n-type. The imaginary part of the dielectric function shows that these two structures in the infrared region have main response to the light and have small optical gaps, while the optical energy loss functions have the lowest values in this energy region. At a temperature of 200 K, the figure of merit coefficient of WSeS(8,0) nanotube is larger than WSe2(8,0) one, but at high temperatures, the power factor coefficient of WSe2(8,0) nanotube is higher, which shows that this case is suitable for power generators.

Keywords

• DFT، Electronic
• ،Optic