Valence photoionization of small alkaline earth atoms endohedrally confined in C 60

M. H. Javani, M. R. McCreary, A. B. Patel, Mohamed Madjet, H. S. Chakraborty, S. T. Manson

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

A theoretical study of photoionization from the outermost orbitals of Be, Mg and Ca atoms endohedrally confined in C60 is reported. The fullerene ion core, comprised of sixty C 4+, is smudged into a continuous jellium charge distribution, while the delocalized cloud of carbon valence electrons plus the encaged atom are treated in the time-dependent local density approximation (TDLDA). Systematic evolution of the mixing of outer atomic level with states of the C60 valence band is found along the sequence. This is found to influence the plasmonic enhancement of atomic photoionization at low energies and the geometry-revealing confinement oscillations at high energies in significantly different ways: (a) the extent of enhancement is mainly determined by the strength of atomic ionization, giving the strongest enhancement for Be even though Ca suffers the largest mixing. But (b) strongest collateral oscillations are uncovered for Ca, since, relative to Be and Mg, the mixing causes the highest photoelectron production at confining boundaries of Ca. The study paints the first comparative picture of the atomic valence photospectra for alkaline earth metallofullerenes in a dynamical many-electron framework.

Original languageEnglish
Article number189
JournalEuropean Physical Journal D
Volume66
Issue number7
DOIs
Publication statusPublished - 1 Jul 2012
Externally publishedYes

Fingerprint

photoionization
valence
augmentation
atoms
oscillations
paints
confining
charge distribution
fullerenes
photoelectrons
electrons
ionization
orbitals
energy
causes
carbon
geometry
approximation
ions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Valence photoionization of small alkaline earth atoms endohedrally confined in C 60 . / Javani, M. H.; McCreary, M. R.; Patel, A. B.; Madjet, Mohamed; Chakraborty, H. S.; Manson, S. T.

In: European Physical Journal D, Vol. 66, No. 7, 189, 01.07.2012.

Research output: Contribution to journalArticle

Javani, M. H. ; McCreary, M. R. ; Patel, A. B. ; Madjet, Mohamed ; Chakraborty, H. S. ; Manson, S. T. / Valence photoionization of small alkaline earth atoms endohedrally confined in C 60 In: European Physical Journal D. 2012 ; Vol. 66, No. 7.
@article{a73b31c7062a41a5a87583148643259b,
title = "Valence photoionization of small alkaline earth atoms endohedrally confined in C 60",
abstract = "A theoretical study of photoionization from the outermost orbitals of Be, Mg and Ca atoms endohedrally confined in C60 is reported. The fullerene ion core, comprised of sixty C 4+, is smudged into a continuous jellium charge distribution, while the delocalized cloud of carbon valence electrons plus the encaged atom are treated in the time-dependent local density approximation (TDLDA). Systematic evolution of the mixing of outer atomic level with states of the C60 valence band is found along the sequence. This is found to influence the plasmonic enhancement of atomic photoionization at low energies and the geometry-revealing confinement oscillations at high energies in significantly different ways: (a) the extent of enhancement is mainly determined by the strength of atomic ionization, giving the strongest enhancement for Be even though Ca suffers the largest mixing. But (b) strongest collateral oscillations are uncovered for Ca, since, relative to Be and Mg, the mixing causes the highest photoelectron production at confining boundaries of Ca. The study paints the first comparative picture of the atomic valence photospectra for alkaline earth metallofullerenes in a dynamical many-electron framework.",
author = "Javani, {M. H.} and McCreary, {M. R.} and Patel, {A. B.} and Mohamed Madjet and Chakraborty, {H. S.} and Manson, {S. T.}",
year = "2012",
month = "7",
day = "1",
doi = "10.1140/epjd/e2012-30081-9",
language = "English",
volume = "66",
journal = "European Physical Journal D",
issn = "1434-6060",
publisher = "Springer New York",
number = "7",

}

TY - JOUR

T1 - Valence photoionization of small alkaline earth atoms endohedrally confined in C 60

AU - Javani, M. H.

AU - McCreary, M. R.

AU - Patel, A. B.

AU - Madjet, Mohamed

AU - Chakraborty, H. S.

AU - Manson, S. T.

PY - 2012/7/1

Y1 - 2012/7/1

N2 - A theoretical study of photoionization from the outermost orbitals of Be, Mg and Ca atoms endohedrally confined in C60 is reported. The fullerene ion core, comprised of sixty C 4+, is smudged into a continuous jellium charge distribution, while the delocalized cloud of carbon valence electrons plus the encaged atom are treated in the time-dependent local density approximation (TDLDA). Systematic evolution of the mixing of outer atomic level with states of the C60 valence band is found along the sequence. This is found to influence the plasmonic enhancement of atomic photoionization at low energies and the geometry-revealing confinement oscillations at high energies in significantly different ways: (a) the extent of enhancement is mainly determined by the strength of atomic ionization, giving the strongest enhancement for Be even though Ca suffers the largest mixing. But (b) strongest collateral oscillations are uncovered for Ca, since, relative to Be and Mg, the mixing causes the highest photoelectron production at confining boundaries of Ca. The study paints the first comparative picture of the atomic valence photospectra for alkaline earth metallofullerenes in a dynamical many-electron framework.

AB - A theoretical study of photoionization from the outermost orbitals of Be, Mg and Ca atoms endohedrally confined in C60 is reported. The fullerene ion core, comprised of sixty C 4+, is smudged into a continuous jellium charge distribution, while the delocalized cloud of carbon valence electrons plus the encaged atom are treated in the time-dependent local density approximation (TDLDA). Systematic evolution of the mixing of outer atomic level with states of the C60 valence band is found along the sequence. This is found to influence the plasmonic enhancement of atomic photoionization at low energies and the geometry-revealing confinement oscillations at high energies in significantly different ways: (a) the extent of enhancement is mainly determined by the strength of atomic ionization, giving the strongest enhancement for Be even though Ca suffers the largest mixing. But (b) strongest collateral oscillations are uncovered for Ca, since, relative to Be and Mg, the mixing causes the highest photoelectron production at confining boundaries of Ca. The study paints the first comparative picture of the atomic valence photospectra for alkaline earth metallofullerenes in a dynamical many-electron framework.

UR - http://www.scopus.com/inward/record.url?scp=84865589791&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84865589791&partnerID=8YFLogxK

U2 - 10.1140/epjd/e2012-30081-9

DO - 10.1140/epjd/e2012-30081-9

M3 - Article

VL - 66

JO - European Physical Journal D

JF - European Physical Journal D

SN - 1434-6060

IS - 7

M1 - 189

ER -