Magnetism, optical, and thermoelectric response of CdFe2O4 by using DFT scheme

doi:10.1088/1674-1056/27/3/037103

Abstract Comparative analysis of electronic, magnetic, optical, and thermoelectric properties of CdFe₂O₄, calculated by employing PBEsol+mBJ has been done. The PBEsol reveals metallic nature, while TB-mBJ illustrates ferromagnetic semiconducting behavior. The reasons behind the origin of ferromagnetism are explored by observing the exchange, crystal field, and John-Teller energies. The optical nature is investigated by analyzing dielectric constants, refraction, absorption coefficient, reflectivity, and optical conductivity. Finally, thermoelectric properties are elaborated by describing the electrical and thermal conductivities, Seebeck coefficient, and power factor. The strong absorption for the visible energy and high power factor suggest CdFe₂O₄ as the potential candidate for renewable energy applications.

Keywords: frustrated magnetism density functional theory John-Teller distortion Hund's rule

Received: 24 October 2017
Revised: 30 November 2017
Accepted manuscript online:

PACS:

71.15.Mb

(Density functional theory, local density approximation, gradient and other corrections)

Corresponding Authors: M Yaseen
E-mail: myaseen_taha@yahoo.com

Cite this article:

Q Mahmood, M Yaseen, K C Bhamu, Asif Mahmood, Y Javed, Shahid M Ramay Magnetism, optical, and thermoelectric response of CdFe₂O₄ by using DFT scheme 2018 Chin. Phys. B 27 037103

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Magnetism, optical, and thermoelectric response of CdFe2O4 by using DFT scheme

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Magnetism, optical, and thermoelectric response of CdFe₂O₄ by using DFT scheme