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Highly absorbent cubic structured silicon-monochalcogenides: promising materials for photovoltaic applications

Ul Haq, Bakhtiar and Al Faify, S. and Ahmed, R. and Butt, Faheem K. and Shaari, A. and Khan, Saleem Ayaz and Laref, A. and Chaudhry, Aijaz Rasool (2019) Highly absorbent cubic structured silicon-monochalcogenides: promising materials for photovoltaic applications. Ceramics International, 45 (7). pp. 8971-8978. ISSN 0272-8842

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Official URL: http://dx.doi.org/10.1016/j.ceramint.2019.01.228


Exploring the high-efficiency materials for next-generation optoelectronic and photovoltaic applications is of great importance. In this article, we explore the potential of the newly designed cubic-structured Silicon-monochalcogenides (π-SiS, π-SiSe, and π-SiTe) for photovoltaic and optoelectronic applications. The density functional theory based full-potential linearized augmented-plane-wave plus local-orbital (FP-L(APW + lo)) method has been adopted to carry out this study. These materials possess cohesive and formation energies comparable to the other stable binary-chalcogenides reflecting their thermodynamic stability in the cubic structure. The results of electronic band structures reveal them indirect bandgap materials of bandgap energy 1.09, 0.88 and 0.47 eV for π-SiS, π-SiSe, and π-SiTe respectively. This new class of monochalcogenides has been found rich in several interesting features such as large density of states around the Fermi-level, relatively flat valence and conduction band edges, and heavier masses of charge carriers. As a result, the high absorbance of light (∼10 6 /cm) in the visible and lower ultraviolet (UV) regions has been observed. Similarly, a suitable optical reflectivity in the higher UV region was recorded which highlights their potential for application as a shield against UV radiations. This article further addresses the exciton binding energies, plasmon's energies, and low and high-frequency dielectric constants of these materials. Our results demonstrate the cubic-structured Si-monochalcogenides as thermodynamically stable and promising materials for cutting-edge optoelectronic and photovoltaic applications.

Item Type:Article
Uncontrolled Keywords:exciton binding energy, optical properties, optoelectronics
Subjects:Q Science > QC Physics
ID Code:87870
Deposited By: Yanti Mohd Shah
Deposited On:30 Nov 2020 21:28
Last Modified:30 Nov 2020 21:28

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