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We study the optical properties of small gold chains doped with differenttransition metal (TM) atoms (Ni,Rh,Fe) by using the time-dependentdensity-functional theory (TDDFT) approach. The optical absorption spectrum ofsuch systems demonstrates a collective plasmon mode when the number of atoms islarger than approximately 10, and this mode splits into two peaks when the Auchain is doped with some of the TM (Ni,Fe) atoms. We associate the additionalpeak with a local plasmonic mode which corresponds to the charge oscillationsaround the potential created by the d-orbitals of the impurity atoms. Theeffect takes place when the number of TM atoms is much smaller than the numberof Au atoms. This behavior is opposite to the case of larger bulknoble-metal-TM clusters (radius $>$1nm), where the doping with TM atoms doesnot lead to any generation of additional modes, and often leads to asuppression of the main plasmon peak. This phenomenon of tuning the opticalproperties of nanosystems with transition metal atoms can be used in manypractical applications in the field of nanotechnology.

Transition metal impurity-induced generation of plasmonic collective modes in small gold clusters