Browsing by Author "Ben mehenni Rouaa. Rapp/ Saber Saad Essaoud"

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    Pressure and temperature influences on thermal and thermoelectric properties of some materials used in thermoelectric generators
    (Université Mohamed Boudiaf - M’Sila, 2024-06) Ben mehenni Rouaa. Rapp/ Saber Saad Essaoud
    In our work, we conducted a theoretical study to calculate the structural, electronic, thermodynamic, and thermoelectric properties of the compounds MgSnO3 and CaSnO3 using the full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). To calculate the exchange-correlation potential, we used the generalized gradient approximation (GGA) to study the properties of the compounds. In calculating the structural properties, we determined the lattice constant and the bulk modulus. To understand the electronic behavior of both compounds, we analyzed the electronic band structure and the density of states (DOS), both total and partial. In calculating the thermodynamic properties, we focused on determining certain thermal quantities using the quasi-harmonic Debye model, which allowed us to study the effect of temperature and pressure on quantities such as heat capacities Cv, thermal expansion coefficient α, and entropy. Finally, we calculated the thermoelectric properties such as the Seebeck coefficient, electronic electrical conductivity, and electronic thermal conductivity.