Size-dependent photoabsorption and photoemission of small metal particles

Ekardt, W.

doi:10.1103/physrevb.31.6360

Cited by 499 publications

(291 citation statements)

References 36 publications

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“…Despite its simplicity, the JM captures the collective plasmonic modes of the conduction electrons at the surface in individual nanoparticles and nanoparticle dimers. 56,59,60,92 The JM has also been successfully used to model effects associated with conduction electrons in a variety of metallic systems such as in electronic and optical properties of metal clusters and surfaces, [93][94][95][96] charge transfer reactions between atoms and surfaces, 97 conductances of molecular junctions, 98 and strong-eld effects. 99 The second part of this section will discuss the basis of the QCM, i.e., how to incorporate the optical conductivity derived from a quantum mechanical calculation into the classical calculations of the plasmonic response (Subsection 2.3).…”

Section: Implementation Of the Local Qcmmentioning

confidence: 99%

A classical treatment of optical tunneling in plasmonic gaps: extending the quantum corrected model to practical situations

et al. 2015

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(2015). A classical treatment of optical tunneling in plasmonic gaps: extending the quantum corrected model to practical situations. Faraday Discussions, 178, The optical response of plasmonic nanogaps is challenging to address when the separation between the two nanoparticles forming the gap is reduced to a few nanometers or even subnanometer distances. We have compared results of the plasmon response within different levels of approximation, and identified a classical local regime, a nonlocal regime and a quantum regime of interaction. For separations of a fewÅngstroms, in the quantum regime, optical tunneling can occur, strongly modifying the optics of the nanogap. We have considered a classical effective model, so called Quantum Corrected Model (QCM), that has been introduced to correctly describe the main features of optical transport in plasmonic nanogaps. The basics of this model are explained in detail, and its implementation is extended to include nonlocal effects and address practical situations involving different materials and temperatures of operation.

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Section: Implementation Of the Local Qcmmentioning

confidence: 99%

A classical treatment of optical tunneling in plasmonic gaps: extending the quantum corrected model to practical situations

et al. 2015

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“…36 For such sizes, the Ag band-structure remains intact. The ground state energy spectrum and wave-functions were obtained by solving the Kohn-Sham equations for jellium model 29 with the Gunnarsson-Lundqvist exchange-correlation potential; 37 the interaction strength was appropriately modified to account for static d-band screening. The ground state density of sp-band electrons, n(r), exhibits characteristic Friedel oscillations, while the spatial extent of spillover is ≃ 2 a.u.…”

Section: Numerical Results and Discussionmentioning

confidence: 99%

“…28 Thus, in small nanoparticles, the enhancement magnitude is determined by a delicate interplay of competing quantum-size effects, and must, therefore, be described within a consistent microscopic approach. Such an approach, based on time-dependent local density approximation (TDLDA), 29 is developed in this paper.…”

Section: Introductionmentioning

confidence: 99%

Microscopic theory of surface-enhanced Raman scattering in noble-metal nanoparticles

Pustovit

Shahbazyan

2006

Phys. Rev. B

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We present a microscopic model for surface-enhanced Raman scattering (SERS) from molecules adsorbed on small noble-metal nanoparticles. In the absence of direct overlap of molecular orbitals and electronic states in the metal, the main enhancement source is the strong electric field of the surface plasmon resonance in a nanoparticle acting on a molecule near the surface. In small particles, the electromagnetic enhancement is strongly modified by quantum-size effects. We show that, in nanometer-sized particles, SERS magnitude is determined by a competition between several quantum-size effects such as the Landau damping of surface plasmon resonance and reduced screening near the nanoparticle surface. Using time-dependent local density approximation, we calculate spatial distribution of local fields near the surface and enhancement factor for different nanoparticles sizes.

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“…In the usual first-order TDLDA at T e = 0 in the frequency domain, the induced electron density δn(r; ω) is related to δV ext (r ′ ; ω), the Fourier transform (with respect to time) of the external time-dependent potential (generated, for instance, by the electric field of a laser beam), via the relation [50,52,60] δn(r; ω) = χ(r, r ′ ; ω) δV ext (r ′ ; ω) dr ′ (13) where χ(r, r ′ ; ω) is the retarded density correlation function or the dynamic response function. It is possible to rewrite the induced density as…”

Section: Excited Statesmentioning

confidence: 99%

“…This approximation was first introduced by Zangwill and Soven [50] in the context of atomic physics for the study of photoionization in rare gases. Subsequently, this formalism has been successfully extended to the study of more and more complex electron systems: molecules [51], simple metal clusters [52], noble metal clusters [53], thin metal films [54], quantum dots [55], and condensed phase systems [38].…”

Section: Applicationmentioning

confidence: 99%