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4, December 2013
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Introduction
The number of papers devoted to investigation of
carbon nanostructures and their feasible applications
has seen rapid increases [see Lehtinen et al. (2003),
Saito et al. (1992), Ajayan (1999), Gerber et al. (2010),
Xia et al. (2008), Mishra et al. (2012), Rangel &
Seminario (2010) and references therein]. The atomicscale understanding of the properties of the adatoms
on a graphene sheet has become an essential part of
such studies. The photoelectron spectroscopy is an
effective precise method to investigate the electron
structure of adatoms [Carlson (1975)]. The study of the
interaction processes of ionizing radiation with single
adatoms and surface structures on their basis will not
only provide an answer to a number of the intriguing
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100
=
[1 + P2 (cos ek )]
d 4
(1)
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k + 2[ E U ( z )] k =
0;
the dipole asymmetry parameter. In the abovedescribed coordinate system, the argument of the
Legendre polynomial P2 (cos ek ) is represented as
E = k 2 / 2 = (k x2 + k y2 + k z2 ) / 2 .
cos ek =
cos e cos + sin e sin cos(e )
(2)
(4)
=
jz k=
z F ( , ) kF ( , ) cos .
(5)
k (r ) = F ( , )e .
The electron wave function in the form (5) describes
the photoelectron as a free particle since the Coulomb
field of the atomic residue gives for the electron flux
density the corrections that go to zero at r
[Landau & Lifshitz (1965)].
Graphene Sheet Effect
Until now, the above-given formulas relate to the free
M atom. In the case of the ionization of adsorbed atom,
the potential plane formed by the graphene sheet
distorts the final-state wave function (5). Near the
photoeffect threshold when the photoelectron wave
length significantly exceeds the distance between
the carbon atoms in the 6-rings forming the graphene
sheet, its potential (by analogy with the Dirac-bubblepotential for C60 shell [Lohr et al. (1992)] was regarded
as a phenomenological potential U ( z ) = A ( z ) to
simulate the smeared carbon atoms.
Within this model description, the wave function of
photoelectron leaving the atomic residue will obey the
following Schrdinger equation
(6)
k (r ) = F ( , )e x y ( z ) .
(7)
It is evident that for U ( z ) 0 the function (7) coincides,
as it should be, with the function (5). For the function
( z ) we have the equation
2
+ [k z2 + 2 A ( z )] ( z ) =
0.
(8)
z
The solution of Eq.(8) we write in the form (Flugge, S.
1971)
2
=
( z ) eik z z + Be ik z z
for z<0,
for z>0.
(9)
( z )= (1 + D)e
In the formulas (9) three waves are distinguished: an
incident wave with unity intensity, a reflected wave
with intensity | B |2 and a wave passed over the
ik z z
1
(10)
L =
=2 A .
+
z
z
(0)
Substituting the functions (9) in Eq.(10), we obtain the
following expression for the scattering amplitudes
B= D=
A
.
A + ik z
(11)
(12)
(13)
101
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S y = F ( , ) sin sin ,
(14)
=
S z F ( , )[1 | B | ]cos , for the upper semi-space,
2
=
S z F ( , )[1+ | B |2 ]cos , for the lower semi-space.
=
( z ) e + Be
=
( z ) A ( z ) + C ( z )
ik z z
for z<-b/2,
for b/2>z>-b/2,
(16)
(20)
.
(15)
A + k 2 cos 2
From (15) it follows that when the electron moves
from the upper semi-space to the lower one or vice
versa, i.e. at angles = / 2 or 3 / 2 , the zcomponents of the function S z Eq.(14) have the jump
| B |2 =
1 B =+
1 D .
(17)
S-atomic State
For the strength of the delta-potential A defining the
scattering amplitude (11) to be evaluated, it was
assumed that the potential of the graphene sheet U ( z )
is similar to a plane-expanded potential of the
fullerene C60 shell. Based on this assumption, the
parameter A can be found from the experimental data
on the fullerene radius R and the electron affinity
energy I. According to [Baltenkov (1999)],
=
A (1 + coth R) / 2 ,
12
(21)
. For I = 2.65 eV
(18)
B =
(k z2 + K 2 ) 2 + 4k z2 K 2 cot 2 Kb
potential well 1 + D
102
(19)
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Sz
=2
=2
0.5
X
0.0
-0.5
-1.0
Free atom
Adatom k=0.6
Adatom k=1.0
Adatom k=2.0
-1.5
-1.6
-1.2
-0.8
Sx
-0.4
0.0
0.4
VECTOR IS
e || Z
1.6
-potential, A=0.441
W=8.24 eV, b=1.89
W=9.8 eV, b=1.5
W=14.2 eV, b=1
1.0
0.8
0.7
0.6
|B|2
1.2
0.9
0.0
0.8
Free atom
Adatom k=0.6
Adatom k=1.0
Adatom k=2.0
0.5
Sz
1.0
0.5
0.4
0.3
-0.5
0.2
Sx
-1.0
-1.2
-0.8
-0.4
0.0
0.4
0.8
1.2
0.1
0.0
0.0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1.0
kz (a.u.)
VECTOR IS
103
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Sz
1.0
=2
0.5
0.0
-0.5
k
-1.0
-1.5
k=0.6
Free atom
Adatom A=0.441
Adatom A=1.0
Adatom A=2.0
-2.0
-1.5
-1.0
Sx
-0.5
0.0
0.5
1.0
1.5
e || Z
Sz
1.0
Sz
1.0
=1
=0.5
0.5
0.5
0.0
0.0
-0.5
-0.5
-1.0
-1.0
Free atom
Adatom k=0.6
Adatom k=1.0
-1.5
-2.0
-1.5
-1.0
Sx
-0.5
0.0
0.5
1.0
1.5
Free atom
Adatom k=0.6
Adatom k=1.0
-1.5
2.0
1.5
-2.0
-1.5
-1.0
Sx
-0.5
0.0
0.5
1.0
1.5
2.0
Sz
1.0
Sz
=0
= -0.5
0.5
0.0
k
-0.5
-1
-1.0
-2
-1.5
-2.0
-2.0
Free atom
Adatom k=0.6
Adatom k=1.0
-1.5
-1.0
Free atom
Adatom k=0.6
Adatom k=1.0
-3
Sx
Sx
-0.5
0.0
0.5
1.0
1.5
2.0
-4
-4
-3
-2
-1
FIG. 6. THE ANGULAR DISTRIBUTIONS OF PHOTOELECTRONS KNOCKED OUT OF THE ATOMIC SUBSHELLS WITH NONZERO
ORBITAL MOMENTS FOR DIFFERENT DIPOLE ASYMMETRY PARAMETERS AND DIFFERENT ELECTRON KINETIC ENERGY
GRAPHENE SHEET FOR K=0.6; DASH BLUE LINES ATOM + GRAPHENE SHEET FOR K=1.0. THE 3D-PICTURES OF THE
PHOTOELECTRON ANGULAR DISTRIBUTION ARE THE FIGURES FORMED BY THE CURVES ROTATION AROUND THE Z-AXIS.
104
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Resonances
in
Photoionization
of
REFERENCES
inside
fullerene:
Confinement
geometry
from
105