### Abstract

Original language | English |
---|---|

Article number | 137403 |

Journal | Physical Review Letters |

Volume | 115 |

Issue number | 13 |

Number of pages | 5 |

ISSN | 0031-9007 |

DOIs | |

Publication status | Published - 2015 |

### Keywords

- Physics and Astronomy (all)
- Calculations
- Electrodynamics
- Electrons
- Plasmons
- Quantum electronics
- Quantum theory
- Classical electrodynamics
- Metallic nanostructure
- Nonlocal response
- Quantum calculation
- Quantum correction
- Quantum plasmonics
- Quantum properties
- Time dependent density functional theory
- Density functional theory
- cond-mat.mes-hall
- physics.optics
- PHYSICS,
- METAL-SURFACES
- AG-CLUSTERS
- RESONANCE
- NANOSTRUCTURES
- NANOPARTICLES
- ENHANCEMENT
- DEPENDENCE
- DENSITY
- ENERGY
- OPTICS

### Cite this

*Physical Review Letters*,

*115*(13), [137403]. https://doi.org/10.1103/physrevlett.115.137403

}

*Physical Review Letters*, vol. 115, no. 13, 137403. https://doi.org/10.1103/physrevlett.115.137403

**Projected Dipole Model for Quantum Plasmonics.** / Yan, Wei; Wubs, Martijn; Mortensen, N. Asger.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Projected Dipole Model for Quantum Plasmonics

AU - Yan, Wei

AU - Wubs, Martijn

AU - Mortensen, N. Asger

PY - 2015

Y1 - 2015

N2 - Quantum effects of plasmonic phenomena have been explored through ab initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an effective description with the computationally appealing features of classical electrodynamics, while quantum properties are described accurately through an infinitely thin layer of dipoles oriented normally to the metal surface. The nonlocal polarizability of the dipole layer-the only introduced parameter-is mapped from the free-electron distribution near the metal surface as obtained with 1D quantum calculations, such as time-dependent density-functional theory (TDDFT), and is determined once and for all. The model can be applied in two and three dimensions to any system size that is tractable within classical electrodynamics, while capturing quantum plasmonic aspects of nonlocal response and a finite work function with TDDFT-level accuracy. Applying the theory to dimers, we find quantum corrections to the hybridization even in mesoscopic dimers, as long as the gap itself is subnanometric.

AB - Quantum effects of plasmonic phenomena have been explored through ab initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an effective description with the computationally appealing features of classical electrodynamics, while quantum properties are described accurately through an infinitely thin layer of dipoles oriented normally to the metal surface. The nonlocal polarizability of the dipole layer-the only introduced parameter-is mapped from the free-electron distribution near the metal surface as obtained with 1D quantum calculations, such as time-dependent density-functional theory (TDDFT), and is determined once and for all. The model can be applied in two and three dimensions to any system size that is tractable within classical electrodynamics, while capturing quantum plasmonic aspects of nonlocal response and a finite work function with TDDFT-level accuracy. Applying the theory to dimers, we find quantum corrections to the hybridization even in mesoscopic dimers, as long as the gap itself is subnanometric.

KW - Physics and Astronomy (all)

KW - Calculations

KW - Electrodynamics

KW - Electrons

KW - Plasmons

KW - Quantum electronics

KW - Quantum theory

KW - Classical electrodynamics

KW - Metallic nanostructure

KW - Nonlocal response

KW - Quantum calculation

KW - Quantum correction

KW - Quantum plasmonics

KW - Quantum properties

KW - Time dependent density functional theory

KW - Density functional theory

KW - cond-mat.mes-hall

KW - physics.optics

KW - PHYSICS,

KW - METAL-SURFACES

KW - AG-CLUSTERS

KW - RESONANCE

KW - NANOSTRUCTURES

KW - NANOPARTICLES

KW - ENHANCEMENT

KW - DEPENDENCE

KW - DENSITY

KW - ENERGY

KW - OPTICS

U2 - 10.1103/physrevlett.115.137403

DO - 10.1103/physrevlett.115.137403

M3 - Journal article

VL - 115

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 13

M1 - 137403

ER -