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Title: The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl{sub 2}O{sub 4} Using mBJ Functional Approach

Abstract

In this research work, the modified Becke and Johnson potential has been used to realize the actual electronic states and band gap properties of FeAl{sub 2}O{sub 4}. Ferromagnetism is illustrated in terms of John-Teller energy and exchange energies involved in the system due to electron spin. Moreover, the exchange constants also support the ferromagnetism in the studied compound. The reduction of the magnetic moment of Fe from its free space value and the shifting of the magnetic moment to nonmagnetic sites are the consequence of strong magnetization. In the end, the electrical conductivity and Seebeck coefficient incorporated to give a high value of the power factor and thermal efficiency for energy renewable devices.

Authors:
 [1];  [2];  [3]; ;  [1];  [4]
  1. University of Agriculture, Department of Physics (Pakistan)
  2. University of the Punjab, Materials Growth and Simulation Laboratory, Department of Physics (Pakistan)
  3. King Saud University, Physics and Astronomy Department, College of Science (Saudi Arabia)
  4. King Saud University, Chemical Engineering Department, College of Engineering (Saudi Arabia)
Publication Date:
OSTI Identifier:
22771326
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 5; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; Article Copyright (c) 2017 Springer Science+Business Media, LLC; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOYS; ALUMINIUM OXIDES; DENSITY FUNCTIONAL METHOD; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; ELECTRONS; FERROMAGNETISM; IRON OXIDES; MAGNETIC MOMENTS; MAGNETIZATION; POTENTIALS; POWER FACTOR; SPIN; SPINELS; THERMAL EFFICIENCY; THERMOELECTRIC PROPERTIES

Citation Formats

Yaseen, M., E-mail: myaseen-taha@yahoo.com, Mahmood, Q., Ramay, Shahid M., E-mail: schaudhry@ksu.edu.sa, Ali, I., Naz, M. Y., and Mahmood, Asif. The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl{sub 2}O{sub 4} Using mBJ Functional Approach. United States: N. p., 2018. Web. doi:10.1007/S10948-017-4337-5.
Yaseen, M., E-mail: myaseen-taha@yahoo.com, Mahmood, Q., Ramay, Shahid M., E-mail: schaudhry@ksu.edu.sa, Ali, I., Naz, M. Y., & Mahmood, Asif. The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl{sub 2}O{sub 4} Using mBJ Functional Approach. United States. doi:10.1007/S10948-017-4337-5.
Yaseen, M., E-mail: myaseen-taha@yahoo.com, Mahmood, Q., Ramay, Shahid M., E-mail: schaudhry@ksu.edu.sa, Ali, I., Naz, M. Y., and Mahmood, Asif. Tue . "The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl{sub 2}O{sub 4} Using mBJ Functional Approach". United States. doi:10.1007/S10948-017-4337-5.
@article{osti_22771326,
title = {The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl{sub 2}O{sub 4} Using mBJ Functional Approach},
author = {Yaseen, M., E-mail: myaseen-taha@yahoo.com and Mahmood, Q. and Ramay, Shahid M., E-mail: schaudhry@ksu.edu.sa and Ali, I. and Naz, M. Y. and Mahmood, Asif},
abstractNote = {In this research work, the modified Becke and Johnson potential has been used to realize the actual electronic states and band gap properties of FeAl{sub 2}O{sub 4}. Ferromagnetism is illustrated in terms of John-Teller energy and exchange energies involved in the system due to electron spin. Moreover, the exchange constants also support the ferromagnetism in the studied compound. The reduction of the magnetic moment of Fe from its free space value and the shifting of the magnetic moment to nonmagnetic sites are the consequence of strong magnetization. In the end, the electrical conductivity and Seebeck coefficient incorporated to give a high value of the power factor and thermal efficiency for energy renewable devices.},
doi = {10.1007/S10948-017-4337-5},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 5,
volume = 31,
place = {United States},
year = {2018},
month = {5}
}