Tetragonal crystal system
Materials science
Perovskite (structure)
Ground state
Band gap
Density functional theory
Condensed matter physics
Electronic band structure
Ab initio
Lattice constant
Phase transition
Electronic structure
Ab initio quantum chemistry methods
Direct and indirect band gaps
Phase (matter)
Physics
Chemistry
Optics
Computational chemistry
Optoelectronics
Diffraction
Atomic physics
Crystallography
Quantum mechanics
Molecule
