Structural, electronic and optical properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"> <mml:mrow> <mml:msub> <mml:mi>A</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:mi>S</mml:mi> <mml:mi>n</mml:mi> <mml:mi>B</mml:mi> <mml:msub> <mml:mi>r</mml:mi> <mml:mn>6</mml:mn> </mml:msub> </mml:mrow> </mml:math> (A = K, Cs, and Rb) for photovoltaic applications: First-principles calculation
M.A. Kinani, Rachid Chami, A. Lekdadri, A. ElRharib, Yamina Mir, E.K. Hlil, A. Amine, M. Zazoui
Topics & Concepts
Band gapDensity functional theorySemiconductorPerovskite (structure)Materials scienceElectronic band structureAlgorithmOptoelectronicsPhysicsChemistryCondensed matter physicsComputer scienceCrystallographyComputational chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography2D Materials and Applications