• HIND ALTHIB

Articles written in Bulletin of Materials Science

• First-principle study of electronic, optical and transport properties for (Zn/Cd)Sc$_2$Se$_4$ spinel chalcogenides

The spinel chalcogenides Zn/CdSc$_2$Se$_4$ are evaluated by first-principle approach to compute optoelectronic and transport characteristics. The formation energy computations favour their thermodynamic stability. The direct bandgaps 1.0 and 0.80 eV are evaluated of the most versatile modified Becke and Johnson potential. The optical spectra have been analysed in terms dielectric constants. The absorption region expands from visible to ultraviolet, which is suitable for optoelectronics. The bandgap-dependent transport characteristics are addressed by classical theory of Boltzmann using BoltzTraP code, and a high figure of merit was noted. Finally, electron density measures the polar covalent bond in Sc-Se and Zn/Cd-Se.

• # Bulletin of Materials Science

Volume 45, 2022
All articles
Continuous Article Publishing mode

• # Dr Shanti Swarup Bhatnagar for Science and Technology

Posted on October 12, 2020

Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020