Synthesis, Powder X‐Ray Diffraction, and Ab Initio Study of TlInSe2: Analysis of Its Thermoelectric Properties

In this paper, the authors report first‐principles calculations of the Seebeck coefficient in TlInSe2. Experimental measurements demonstrate that TlInSe2 is characterized by giant values of the Seebeck coefficient at the temperature region of 320–430 K. To get insight on significant enhancement of S...

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Veröffentlicht in:	Physica status solidi. A, Applications and materials science Applications and materials science, 2019-08, Vol.216 (15), p.n/a
Hauptverfasser:	Chumakov, Yurii M., Mintaş, Mehmet Fatih, Amiraslanov, Imameddin R., Volz, Sebastian, Mammadov, Samir N., Mamedov, Nazim T., Mammadov, Tofig G., Ishikawa, Masato, Wakita, Kazuki, Seyidov, MirHasan Yu
Format:	Artikel
Sprache:	eng
Schlagworte:	Boltzmann transport equation Chemical bonds Computer simulation Conduction bands Covalent bonds Density functional theory incommensurate modulated structure Molecular dynamics Orbitals Seebeck coefficients Seebeck effect Superlattices Tetrahedra Transport properties Valence band
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