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Synthesis, Powder X‐Ray Diffraction, and Ab Initio Study of TlInSe 2 : Analysis of Its Thermoelectric Properties
Author(s) -
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.
Publication year - 2019
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.201970050
Subject(s) - seebeck coefficient , thermoelectric effect , atomic orbital , thermoelectric materials , valence (chemistry) , materials science , conduction band , ab initio , condensed matter physics , electronic band structure , x ray , diffraction , ab initio quantum chemistry methods , electron , chemistry , physics , optics , thermodynamics , quantum mechanics , organic chemistry , molecule
Seebeck Coefficients In article number 1800835 , Yurii M. Chumakov, MirHasan Yu. Seyidov, and co‐workers report first‐principles calculations of the Seebeck coefficient in TlInSe 2 . The hybridization of Se and Tl orbitals near the top of valence band as well as Se, Tl, and In orbitals in conduction band may lead to giant values of the Seebeck coefficient as it is reported in literature.