Dispersion-correction density functional theory (DFT+D) and spin-orbit coupling (SOC) method into the structural, electronic, optical and mechanical properties of CH3NH3PbI3

by Mohd Zaki N.H.; Ali A.M.M.; Mohamad Taib M.F.; Wan Ismail W.I.N.; Sepeai S.; Ramli A.
Published in Computational Condensed Matter (2023)