To address the limitations of fossil fuels, this book explores double perovskite oxide materials as sustainable alternatives for solar cells and thermoelectric generators. These materials offer tunable bandgaps, high absorption coefficients, and thermal stability, making them ideal for converting sunlight and waste heat into electricity. The study utilises Density Functional Theory (DFT) and the Full Potential Linearised Augmented Plane Wave (FP-LAPW) method to predict material behaviour. Electronic structures, optical properties, and thermal conductivity were modelled by applying LDA, GGA, and mBJ exchange-correlation functionals. Ra2LaNbO6 is identified as an indirect band gap semiconductor (Eg = 2.4 eV), with Ca2NaIO, and Sr2Nal, exhibiting direct band gaps that make them prime candidates for optoelectronic and thermoelectric applications.
- Fundamentals of Perovskite-Based Energy Materials
- First-Principles Formalism for Perovskite-Based Energy Materials
- First-Principles Study of Ra2LaNbO6 for Energy Applications
- First-Principles Study of Energy Properties in X2NaIO6 Double Perovskites
- Insights and Future Directions in Perovskite-Based Energy Materials
Dr. Jitendra Kumar Bairwa is an Assistant Professor of Physics at Rajesh Pilot Government College, Lalsot, with 14 years of experience in academic instruction. He holds a Ph.D. in Physics from the University of Rajasthan, Jaipur, and has qualified CSIR-NET, UGC-NET JRF, and GATE. His research specialises in computational material science and condensed matter physics, with eight book chapters and seven international journal papers.
J. K. Bairwa, "Advanced Materials for Photovoltaic and Thermoelectric Applications: Double Perovskite Oxides," Scholarly Publication, (2026) 1-119.