Elucidation of the Spin-Orbit and Relativistic Effects on the Plasmon Excitations of Silver and Gold Nanowire: Time-Dependent Density Functional Theory
کد مقاله : 1326-PHYSCHEM20
نرگس اسدی آقبلاغی1، زهرا جمشیدی *2
1پژوهشگاه شیمی و مهندسی شیمی
2پژهشگاه شیمی و مهندسی شیمی
چکیده مقاله:
The excitation spectra of linear atomic silver and gold with various sizes have been calculated using time-dependent density functional theory. Our results show strong resonances for the pure Ag nanoparticles and strongly broadened spectra with many transitions for the pure gold structures. Moreover, the resonance energies are strongly dependent on the size of the nano wire. Gold and silver show a continuously decreasing resonance energy with increasing length. Spin orbit interaction does not have a considerable effect on orbital energy and hybridization of orbitals in Ag chain, but for gold chain, it is of particular importance. Without considering the relativity, the electronic spectra of Ag8 and Au8 have the same scheme.
کلیدواژه ها:
plasmon, noble metals, optical properties, nanowire, spin-orbit
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