Electronic, elastic and piezoelectric properties calculations of perovskites materials type BiXO3(X = Al, Sc): DFT and DFPT investigations
Rachedi Samia, Azzaz Yahia, B. M. Mustafa Ahmed, Mokhtar Berrahal, Moulay Noureddine, Liani Mohamed, Djillali Bensaid, Y. Al‐Douri
Topics & Concepts
Debye modelChemistryPerovskite (structure)PiezoelectricityCondensed matter physicsWork (physics)Density functional theoryPlane waveElectronic structurePhase (matter)HarmonicElectronic band structureDebyeThermodynamicsComputational chemistryCrystallographyMaterials sciencePhysicsQuantum mechanicsComposite materialOrganic chemistryMultiferroics and related materialsFerroelectric and Piezoelectric MaterialsAcoustic Wave Resonator Technologies