Research Projects

Researchers are exploring materials for renewable energy devices, particularly double perovskites, due to their applications in spintronics, thermoelectricity, and optoelectronics. The efficiency of lead-based double perovskites has significantly improved over the past decade, but their stability and toxicity remain concerns. To address these issues, it is crucial to find lead-free, eco-friendly double perovskite materials. The double perovskites can be obtained from a simple structure of general formula-ABO3, which allows them to hold nearly all atoms of the periodic table due to their structural and compositional flexibility. They are represented by a general formula A2BB’C6 and have been reported for their thermoelectric, optical, and mechanical properties. However, their large indirect band gap makes them suitable for photovoltaic applications, while direct band gap materials are suitable for optoelectronic devices. New novel double perovskites will be studied for spintronics, optoelectronics, and thermoelectric applications using the DFT technique. References include Das's first-principles calculations on Ba2CaMO6 cubic double perovskites, Wang's study on perovskite solar cells, Bhala's review of the perovskite structure, and Ullah's study on the electronic, structural, magnetic, and thermoelectric properties of the novel Ba2EuMoO6 double perovskite. In conclusion, researchers are exploring new double perovskites for various applications, including solar cells, optoelectronics, and thermoelectrics, using the DFT technique.