Putting DFT to trial: For the exploration to correlate structural, electronic and optical properties of M-doped (M = Group I, II, III, XII, XVI) lead free high piezoelectric c-BiAlO3

Muhammad Rizwan, Asma Ayub, M. Shakil‎, Zahid Usman, S.S.A. Gillani, Haibo Jin, Chuanbao Cao

2020Materials Science and Engineering B32 citationsDOI

Topics & Concepts

DopantBand gapDopingDielectricMaterials scienceLattice constantDensity functional theoryCondensed matter physicsElectronic band structureRefractive indexFermi levelChemistryComputational chemistryOpticsOptoelectronicsPhysicsElectronDiffractionQuantum mechanicsPerovskite Materials and ApplicationsMultiferroics and related materialsZnO doping and properties

Putting DFT to trial: For the exploration to correlate structural, electronic and optical properties of M-doped (M = Group I, II, III, XII, XVI) lead free high piezoelectric c-BiAlO3

Topics & Concepts

Putting DFT to trial: For the exploration to correlate structural, electronic and optical properties of M-doped (M = Group I, II, III, XII, XVI) lead free high piezoelectric c-BiAlO3