Open AccessAb-initio calculation of APbI3 (A=Li, Na, K, Rb and Cs) perovskite crystal and their lattice constants optimization using density functional theory
Author(s) -
Pina Pitriana,
Triati Dewi Kencana Wungu,
Rahmat Hidayat,
H. Herman
Publication year - 2019
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1170/1/012023
Subject(s) - perovskite (structure) , density functional theory , ab initio , lattice energy , chemistry , band gap , lattice constant , halide , electronic band structure , electronic structure , computational chemistry , crystal structure , materials science , condensed matter physics , physics , crystallography , inorganic chemistry , quantum mechanics , diffraction , organic chemistry