First-principles study on the crystal, elastic, electronic and photoelectric transport properties of three phases of CsPbBr 3
To reveal the regulatory mechanism of crystal structure symmetry on the physicochemical properties of CsPbBr 3 perovskite, the electronic, elastic, and optical properties of its cubic (Pm3m), tetragonal (I4/mcm), and orthorhombic (Pbnm) phases were systematically investigated via first-principles density functional t...