Thermoelectric properties of CdTe materials: DFT study

التفاصيل البيبلوغرافية
العنوان: Thermoelectric properties of CdTe materials: DFT study
المؤلفون: G. Anbalagan, Jiju Mani, Rahul Radhakrishnan, N. Rajeev Kumar
المصدر: DAE SOLID STATE PHYSICS SYMPOSIUM 2019.
بيانات النشر: AIP Publishing, 2020.
سنة النشر: 2020
مصطلحات موضوعية: Condensed Matter::Materials Science, Semiconductor, Materials science, Thermal conductivity, Quantum ESPRESSO, Condensed matter physics, business.industry, Electrical resistivity and conductivity, Seebeck coefficient, Thermoelectric effect, Thermal conduction, business, Boltzmann equation
الوصف: In this paper we have investigated the thermoelectric (TE) properties of metal chalcogenides like CdTe material using first principles plane wave pseudo potential method as implemented in the Quantum Espresso package. Boltzmann transport equation also implemented. The negative value of Seebeck Coefficient graph shows that the n-type semiconductor indicates that the conduction is due to electrons. The electrical conductivity of the following material decreases with an increase in temperature due to increase in thermal conductivity. In this paper we have calculated Seebeck Coefficient, electricaland thermal conductivity. The dimensionless Figure of Merit (ZT) is increasing with temperature and the maximum value is 0.65 at 800K.
تدمد: 0094-243X
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::59e32511b5609130721426aa12baa30c
https://doi.org/10.1063/5.0016968
رقم الأكسشن: edsair.doi...........59e32511b5609130721426aa12baa30c
قاعدة البيانات: OpenAIRE