A novel investigation of pressure-induced semiconducting to metallic transition of lead free novel Ba <sub>3</sub> SbI <sub>3</sub> perovskite with exceptional optoelectronic properties
Md. Ferdous Rahman, M. Toki, Ahmad Irfan, Aijaz Rasool Chaudhry, Rajabur Rahaman, Md. Rasheduzzaman, Md. Zahid Hasan
Abstract
The structural, electronic, mechanical, and optical characteristics of barium-based halide perovskite Ba 3 SbI 3 under the influence of pressures ranging from 0 to 10 GPa have been analyzed using first-principles calculations for the first time.
Topics & Concepts
Perovskite (structure)HalideMaterials scienceBariumLead (geology)OptoelectronicsMetalHigh pressureTransition metalCrystallographyEngineering physicsChemistryInorganic chemistryPhysicsMetallurgyCatalysisGeologyBiochemistryGeomorphologyPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityAdvanced Thermoelectric Materials and Devices