作者: Faizan Ullah , Khurshid Ayub , Tariq Mahmood
DOI: 10.1039/D0NJ01670E
关键词: Density functional theory 、 Chemistry 、 Kerr effect 、 Excitation 、 Electron 、 Doping 、 Hyperpolarizability 、 Pockels effect 、 Second-harmonic generation 、 Molecular physics
摘要: Electrides are excess electron compounds with excellent nonlinear optical properties. Herein we report the geometric, electronic, and nonlinear optical properties of C6Li6–M3O …