Open AccessThe computation parameters optimizations for electronic structure calculation of LiPbl3 perovskite by the density functional theory method
Author(s) -
Pina Pitriana,
Triati Dewi Kencana Wungu,
H. Herman,
Rahmat Hidayat
Publication year - 2018
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/434/1/012026
Subject(s) - density functional theory , band gap , perovskite (structure) , electronic structure , lattice constant , kinetic energy , computation , electronic band structure , materials science , rydberg formula , chemistry , computational chemistry , condensed matter physics , physics , quantum mechanics , crystallography , algorithm , mathematics , optoelectronics , diffraction , ion , ionization