title: The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field.
abstract: The interaction of gas phase endohedral fullerene Ho3N@C80with intense (0.1-5 × 1014W/cm2), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C80q+, q = 1-2, was found to be different from that of C60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C60,in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C80is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 × 1014W/cm2.
authors.affiliation: Physics Department, University of Connecticut, Storrs, CT, 06269, USA.
authors.forename: Hui
authors.initials: H
authors.lastname: Xiong
authors.affiliation: Departement de Chimie, B6c, Université de Liege, B4000, Liege, Belgium.
authors.forename: Benoit
authors.initials: B
authors.lastname: Mignolet
authors.affiliation: Center for High Energy Density Science, University of Texas, Austin, TX, 78712, USA.
authors.forename: Li
authors.initials: L
authors.lastname: Fang
authors.affiliation: LCLS, National Accelerator Laboratory, Menlo Park, CA, 94025, USA.
authors.forename: Timur
authors.initials: T
authors.lastname: Osipov
authors.affiliation: Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, 94025, USA.
authors.forename: Thomas J A
authors.identifier: 0000-0002-0641-1279
authors.initials: TJ
authors.lastname: Wolf
authors.affiliation: Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, 94025, USA.|Lawrence Livermoor National Laboratory, CA, USA.
authors.forename: Emily
authors.initials: E
authors.lastname: Sistrunk
authors.affiliation: Stanford PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, CA, 94025, USA.|Institut für Physik und Astronomie, Universität Potsdam, 14476, Potsdam, Germany.
authors.forename: Markus
authors.initials: M
authors.lastname: Gühr
authors.affiliation: Departement de Chimie, B6c, Université de Liege, B4000, Liege, Belgium.
authors.forename: Francoise
authors.initials: F
authors.lastname: Remacle
authors.affiliation: Physics Department, University of Connecticut, Storrs, CT, 06269, USA. nora.berrah@uconn.edu.
authors.forename: Nora
authors.initials: N
authors.lastname: Berrah