First-principles calculations to investigate the physical properties of silicate perovskites ASiO3 (A = Al, In) using density functional theory
Shamaha Khondoker, Md Saiduzzaman, Khandaker Monower Hossain, Wahidur Rahman Sajal, Md. Atikur Rahman
Topics & Concepts
Density functional theoryBulk modulusMaterials scienceShear modulusLattice constantSilicateAtom (system on chip)Density of statesThermodynamicsModulusCharge densityAnisotropyEnthalpyBand gapCondensed matter physicsComputational chemistryComposite materialPhysicsChemistryOpticsEmbedded systemComputer scienceOptoelectronicsAstronomyQuantum mechanicsDiffractionAdvanced ceramic materials synthesisFerroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics Synthesis