Thermal Properties of EuO, DyO and GdO Compounds

Authors Uma Shankar Sharma1, Pankaj Kumar Mishra2 , Jyoti Mishra3, Ranjeet Brajpuriya4

1 Nano Lab, RJIT BSF Academy, Tekanpur, Gwalior (MP), India

2 Dept. of Applied Physics, Amity School of Engineering and Technology, Amity University Madhya Pradesh, Maharajpura Dang, Gwalior, India

3 Department of Applied Sciences, IPS College of Technology and Management, Gwalior, (M.P), India

4 Department of Physics, University of Petroleum and Energy Studies (UPES), Dehradun, India

Issue Volume 14, Year 2022, Number 2
Dates Received 29 March 2021; revised manuscript received 21 April 2022; published online 29 April 2022
Citation Uma Shankar Sharma, Pankaj Kumar Mishra, Jyoti Mishra, Ranjeet Brajpuriya, J. Nano- Electron. Phys. 14 No 2, 02027 (2022)
PACS Number(s) 05.70. – a, 72.15.Eb, 71.15.Mb
Keywords Rare earth oxides, Thermal properties (2) , Density functional theory (DFT), Seebeck coefficient.

In this study, the thermal properties of EuO, DyO, and GdO compounds were investigated. The calculations were performed by using an ab initio approach based on the density functional theory (DFT) and exchange-correlation functional taken as generalized gradient approximation (GGA) and GGA + U (Hubbard Coulomb onsite correction) as implemented in the Quantum Espresso suite of codes. Results indicate that the Seebeck coefficient of the rare earth oxide is high at low temperatures, and it decreases with increasing temperature. The figure of merit (ZT) increases with temperature up to the studied temperature range and also shows the higher figure-of-merit obtained by DyO compound as compared with EuO and GdO, respectively. We obtained a maximum value of 0.008 of ZT at 800 K of DyO.

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