Optical vortex driven charge current loop and optomagnetism in fullerenes

J Wätzel, Y Pavlyukh, A Schäffer, J Berakdar - Carbon, 2016 - Elsevier
Endohedral molecular magnets, eg as realized in fullerenes containing DySc 2 N, are
promising candidates for molecular electronics and quantum information processing. For …

Single-or double-electron emission within the Keldysh nonequilibrium Green's function and Feshbach projection operator techniques

Y Pavlyukh, M Schüler, J Berakdar - Physical Review B, 2015 - APS
This work provides a unified theoretical treatment of the single-and correlated double-
electron emission from a general electronic system. Using Feshbach projection method, the …

Discerning on a sub-optical-wavelength the attosecond time delays in electron emission from magnetic sublevels by optical vortices

J Wätzel, J Berakdar - Physical Review A, 2016 - APS
Photoionization from energetically distinct electronic states may have a relative time delay of
tens of attoseconds. Here we demonstrate that pulses of optical vortices allow the …

Determination of Kohn–Sham effective potentials from electron densities using the differential virial theorem

IG Ryabinkin, VN Staroverov - The Journal of chemical physics, 2012 - pubs.aip.org
We present an accurate method for constructing the Kohn–Sham effective potential
corresponding to a given electron density in one-dimensional and spherically symmetric …

Hybridization-related correction to the jellium model for fullerenes

AV Verkhovtsev, RG Polozkov, VK Ivanov… - Journal of Physics B …, 2012 - iopscience.iop.org
We introduce a new type of correction for a more accurate description of fullerenes within the
spherically symmetric jellium model. This correction represents a pseudopotential which …

[HTML][HTML] Communication: Superatom molecular orbitals: New types of long-lived electronic states

Y Pavlyukh, J Berakdar - The Journal of chemical physics, 2011 - pubs.aip.org
We present ab initio calculations of the quasiparticle decay times in a Buckminsterfullerene
based on the many-body perturbation theory. A particularly lucid representation arises when …

Attosecond tracking of light absorption and refraction in fullerenes

AS Moskalenko, Y Pavlyukh, J Berakdar - Physical Review A—Atomic …, 2012 - APS
The collective response of matter is ubiquitous and widely exploited, eg, in plasmonic,
optical, and electronic devices. Here we trace on an attosecond time scale the birth of …

New applications of the jellium model for the study of atomic clusters

RG Polozkov, VK Ivanov, AV Verkhovtsev… - Journal of Physics …, 2013 - iopscience.iop.org
Application of the jellium model for investigation of the electronic structure and
photoionization of metal clusters and fullerenes is discussed. The valence electrons are …

Plasmon excitations in C60 by fast charged particle beams

CZ Li, ZL Mišković, FO Goodman… - Journal of Applied Physics, 2013 - pubs.aip.org
For an isolated C 60 molecule, we study plasmon excitations that are induced by an
external, fast moving electron, by using a two-dimensional, spherical, two-fluid …

The model of the fullerene C60 and its ions C60+, C60 pseudopotentials for molecular dynamics purposes

KB Agapev, II Vrubel, RG Polozkov… - The European Physical …, 2018 - Springer
The model pseudopotentials of C 60−, C 60 and C 60+ have been constructed on the base
of the total electrostatic potentials obtained as a result of ab initio-based calculations. The …