Investigation on Seebeck coefficient of FeCl 2 monolayer with LDA+U approach

Implementation of LDA+U approach has been employed to investigate the Seebeck effect of FeCl 2 monolayer. The calculation was carried out by keeping the out of plane magnetism in the primitive cell. After obtaining the convergence calculation, we then used the semi classical Boltzmann transport to c...

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Bibliographic Details
Published in:Journal of physics. Conference series 2023-09, Vol.2596 (1), p.12026
Main Authors: Prayitno, T B, Sarwono, Y P, Abdillah, M A, Kartika, M C
Format: Article
Language:English
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Summary:Implementation of LDA+U approach has been employed to investigate the Seebeck effect of FeCl 2 monolayer. The calculation was carried out by keeping the out of plane magnetism in the primitive cell. After obtaining the convergence calculation, we then used the semi classical Boltzmann transport to calculate the Seebeck coefficient. To see the effect of magnetism, we plotted two Seebeck coefficients near the critical temperature and room temperature. The peak of Seebeck coefficient near the critical temperature was higher than that at room temperature. This implies the magnetism may influence the Seebeck effect in thermoelectric material.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/2596/1/012026