Pressure-dependent structural, elastic, electronic, thermodynamic, and optical properties of LuGaO3 perovskite: A first-principles study
Source abstract
Abstract
This comprehensive study investigates the pressure effect on structural, elastic, electronic, thermodynamic, and optical properties of LuGaO3, aiming to assess its suitability for advanced UV optoelectronic applications. Using the first-principles calculations, we analyzed the material’s crystal structure, revealing a stable and well-defined lattice configuration from 0 to 40 GPa. Elastic property calculations showed that the material transformed from brittle to ductile at high pressure. Electronic structure analysis confirmed it as a wide bandgap semiconductor, consistent with its potential as an efficient transparent conducting oxide and UV photodetector. The investigation of thermodynamic properties revealed that the material was found to be thermodynamically stable and well-suited for practical applications. Furthermore, analysis of the optical properties revealed significant UV absorption, low reflectivity, and high optical conductivity, positioning the material as a promising candidate for solar-blind applications and UV light detection systems.
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Research context
OpenAlex topics: ZnO doping and properties · Perovskite Materials and Applications · Ga2O3 and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Central Department of Physics, Tribhuvan University 1 , Kirtipur 44613,
Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University 2 , Biratnagar 56613,
Funding
University Grants Commission, Nepal
References (62)
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