Study of Thermodynamic, Optoelectronic and Thermoelectric Properties of BaSiO3 Crystals Doped With Er3+ and Yb3+ for Energy Renewable Devices Applications
Madiha Khalid, Sikander Azam, Muhammad Tahir Khan, Qaiser Rafiq, Adil Mehmood, Mohammad Altaf, Wilayat Khan
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引用次数: 0
Abstract
The optoelectronic properties of doped BaSiO3-based semiconductors play a very significant role in modern optoelectronic devices. We provide key insights into their versatility and potential in developing technologies by analyzing their structural, electrical, elastic, optical and thermoelectric properties using Wien2k software and GGA + U method. The aim of this research is to enhance the usability of complex resources for new and practical applications. We begin our analysis by applying Birch-Murnaghan fitting to study the structural features of BaSiO3 crystals doped with Er3+ and Yb3+. This study explores the structural, electronic, and thermoelectric enhancements of BaSiO₃ semiconductors doped with Er3⁺ and Yb3⁺. Through detailed analysis, we have identified critical modifications in the lattice parameters and crystal structures, confirming an improvement in general stability and functionality. Notably, doping has effectively reduced the energy band gap from 1.12 eV in undoped BaSiO₃ to a metallic state, optimizing the material for optoelectronic applications. The introduction of Er3⁺ significantly increases optical absorption and reduces the optical band gap, while Yb3⁺ extends absorption into the near-infrared spectrum. Both dopants particularly enhance the thermoelectric properties of BaSiO₃, with a marked increase in the power factor. Additionally, these doped materials show substantial absorption of ultraviolet photons and moderate reflection across infrared and visible spectra. The findings from this research position Er3⁺ and Yb3⁺ doped BaSiO₃ as promising materials for advanced thermoelectric and optoelectronic applications, suggesting potential for significant technological advancements in energy-efficient devices.
期刊介绍:
The journal Silicon is intended to serve all those involved in studying the role of silicon as an enabling element in materials science. There are no restrictions on disciplinary boundaries provided the focus is on silicon-based materials or adds significantly to the understanding of such materials. Accordingly, such contributions are welcome in the areas of inorganic and organic chemistry, physics, biology, engineering, nanoscience, environmental science, electronics and optoelectronics, and modeling and theory. Relevant silicon-based materials include, but are not limited to, semiconductors, polymers, composites, ceramics, glasses, coatings, resins, composites, small molecules, and thin films.