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First-Principles Investigation on Thermoelectric Properties of \(VSb_{2}\) Material

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Abstract

Recently, we have computed the structural and electronic properties of \(VSb_{2}\) using the first-principles calculations based on the full potential linearized augmented plane wave (FP-LAPW) method implemented in WIEN2k code. These studies have shown that this material has a metallic character. In this work, we are interested in the study of thermoelectric properties of \(VSb_{2}\) material using the semi-classical Boltzmann transport theory. The Generalized Gradient Approximation (GGA) is used in the scheme of Perdew–Burke–Ernzerhof (PBE) to treat the exchange correlation effect. Thus, we discuss in detail the temperature effect on the thermoelectric properties such as: the Seebeck coefficient, the thermal conductivity, the electrical conductivity, the electronic specific heat, the figure of merit, the power factor and the Pauli magnetic susceptibility.

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Authors and Affiliations

  1. Laboratory of Mechanics and Energetic, Department of Physics Faculty of Sciences, Mohammed 1st University, Oujda, Morocco

    Siham Malki & Larbi El Farh

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  1. Siham Malki
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  2. Larbi El Farh
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Correspondence to Siham Malki.

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Malki, S., El Farh, L. First-Principles Investigation on Thermoelectric Properties of \(VSb_{2}\) Material. Int J Thermophys 41, 58 (2020). https://doi.org/10.1007/s10765-020-02630-x

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