Quantum and classical features of the photoionization spectrum of C${}_{60}$

Abstract

By considering photoionization of the C${}_{60}$ fullerene, we elucidate the contributions of various classical and quantum physics phenomena appearing in this process. By comparing the results, based on the {\it ab initio} and model approaches, we map the well-resolved features of the photoabsoprtion spectrum to single-particle and collective excitations which have the different physical nature. It is demonstrated that the peculiarities arising in the photoionization spectrum of C${}_{60}$ atop the dominating plasmon excitations have the quantum origin. In particular, we demonstrate that a series of individual peaks can be assigned either to the optically allowed discrete transitions or to ionization of particular molecular orbitals of the system. The analysis performed gives a detailed information on the nature of numerous features in the photoabsorption spectrum of C${}_{60}$.

20 pages, 5 figures

References in corpus (4)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Turbo charging time-dependent density-functional theory with Lanczos chains
• Dynamical Screening of Atom Confined by Finite-Width Fullerene
• Effect of C${}_{60}$ giant resonance on the photoabsorption of encaged atoms

Cited by in corpus (10)

• Revealing the Mechanism of Low-Energy Electron Yield Enhancement from Sensitizing Nanoparticles
• Electron production by sensitizing gold nanoparticles irradiated by fast ions
• Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions
• Optical response of C60 fullerene from a Time Dependent Thomas Fermi approach
• Photoionization of multishell fullerenes studied by ab initio and model approaches
• Energy loss spectroscopy of Buckminster C60 with twisted electrons: Influence of orbital angular momentum transfer on plasmon generation
• Comparative analysis of the secondary electron yield from carbon nanoparticles and pure water medium
• Existence of a system of discrete volume-localized quantum levels for charged fullerenes
• A density functional theory based comparative study of hybrid photoemissions from Cl@C60, Br@C60 and I@C60
• Plasmonic breathing modes in ${\mathrm{C}}_{60}$ molecules -- A quantum hydrodynamic approach