Study of optoelectronic and transport properties of MgLu2Z4 (Z=S, Se) spinels for optoelectronic and energy harvesting applications

Mustafa, Ghulam M. and Noor, N.A. and Iqbal, M. Waqas and Sajjad, M. and Naeem, M.A. and Mahmood, Q. and Shaikh, H.M. and Mahmood, Asif and Al-Masry, Waheed (2021) Study of optoelectronic and transport properties of MgLu2Z4 (Z=S, Se) spinels for optoelectronic and energy harvesting applications. Materials Science in Semiconductor Processing, 121. p. 105452. ISSN 13698001

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Abstract

Intense research has been done to build materials that are potential candidates for energy storage applications.
Spinels are of great interest in this respect because they have vast potential to be used in Mg-based batteries. To
explore their energy storage as well as transport response, we calculate Mg-based spinels, namely MgLu2Z4 (Z––
S,
Se). The full potential linearized augmented plane wave method has been used to examine their optoelectronic
and transport response. An increase in the lattice constant has been observed by replacing S with Se, and our
calculated values are in good agreement with those obtained experimentally. The Tran-Blaha modified Becke-
Johnson exchange potential (TB-mBJ), has been used to study the optoelectronic and thermoelectric characteristics
of the respective spinels. The dependence of these properties on the bandgap has also been observed.
Replacing S with Se resulted in the transformation of the electronic bandgap from near-infrared to the visible
region (MgLu2S4: 2.60 eV and MgLu2Se4: 2.00 eV). These results showed that these materials have the potential
to be used in optoelectronic devices. The optical properties are discussed as a function of energy. Besides, the
thermal transports are discussed with the help of Seebeck coefficient and figure of merit as a function of chemical
potential and temperature.

Item Type: Article
Subjects: Q Science > QC Physics
Divisions: Faculty of Engineering and Applied Sciences (FEAS) > Department of Basic Sciences Lahore
Depositing User: Dr. Waqas Iqbal
Date Deposited: 26 Dec 2020 09:45
Last Modified: 26 Dec 2020 09:45
URI: http://research.riphah.edu.pk/id/eprint/1182

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