arXiv:cond-mat/0007274v1 [cond-mat.

str-el] 17 Jul 2000

DIAGRAMMATIC THEORY OF
THE ANDERSON IMPURITY MODEL
WITH FINITE COULOMB INTERACTION

K. Haulea,b , S. Kirchnerb , H. Krohab , P. Wölfleb

a Institute Josef Stefan, Department of Theoretical Physics (F1)

SI-1000 Ljubljana, Slovenia

b Institut für Theorie der Kondensierten Materie, Universität Karlsruhe

D-76128 Karlsruhe, Germany

Abstract We developed a self-consistent conserving pseudo particle approxima-
tion for the Anderson impurity model with finite Coulomb interaction,
derivable from a Luttinger Ward functional. It contains an infinite series
of skeleton diagrams built out of fully renormalized Green’s functions.
The choice of diagrams is motivated by the Schrieffer Wolff transforma-
tion which shows that singly and doubly occupied states should appear
in all bare diagrams symmetrically. Our numerical results for TK are in
excellent agreement with the exact values known from the Bethe ansatz
solution. The low energy physics of non-Fermi liquid Anderson impurity
systems is correctly described while the present approximation fails to
describe Fermi liquid systems, since some important coherent spin flip
and charge transfer processes are not yet included. It is believed that
CTMA (Conserving T-matrix approximation) diagrams will recover also
Fermi liquid behavior for Anderson models with finite Coulomb inter-
action as they do for infinite Coulomb interaction.

1. INTRODUCTION
Anderson impurity models have been of considerable interest recently
for studying the transport in mesoscopic structures [1] as well as for de-
scribing strong correlations on the lattice in the limit of large dimensions
[2]. In both cases the doubly occupied impurity site, which is character-
ized by an additional energy cost U , is essential for the correct physical
description.
In terms of pseudofermion (fσ ) and slave boson operators (a, b) the
Anderson model is defined by the Hamiltonian
X X
H = ǫ~k c~+ c~kσ + ǫd ( fσ+ fσ + 2a+ a) +
kσ
~k,σ σ

1
2
X
+ Vk (c~+ b+ fσ + σc~+ f−σ
+
a + h.c.) + U a+ a;
kσ kσ
~k,σ

where ǫd is the energy of the local d level, U is the Coulomb interaction

and V~k are the hybridization matrix elements. A physical electron in
+
the local level is created with the operator dσ = b+ fσ + σf−σ a, where
b represents the empty level and a the doubly occupied one (in the
following we will call a and b the heavy and the light boson, respectively).
For
P +
the representation to be exact, the local operator constraint Q ≡
+ +
σ σ fσ +b b+a a = 1 must be fulfilled at all times. This is guaranteed
f
by a suitable projection technique [4].

2. METHOD
It is well known that the Non-Crossing Approximation (NCA) gives
the correct Kondo temperature TK in the limit of large Coulomb repul-
sion U while it fails to recover the correct Kondo temperature for finite
U. The reason may be seen from the Schriffer-Wolff transformation [3]
where the effective coupling constant has two equally important terms
for U ≃ −2ǫd > 0
V2 V2
J =− + (1.1)
ǫd ǫd + U
where just one of them survives in the large U limit. In Eq. (1.1) the first
(second) term is generated by exchange of a bare light (heavy) boson.
This implies that the light (b) and heavy (a) bosons should appear sym-
metrically in all bare diagrams. In order to generate the corresponding
diagrams of the Luttinger-Ward functional one may start with the NCA
diagram for the U → ∞ case (first diagram in Fig. 1a)) and replace the
light boson line by a heavy boson, exchanging the conduction electron
lines appropriately. The result is the second diagram. This is not suffi-
cient, however, because the diagrams should be symmetric in a, b on the
level of bare diagrams. One may show that this exchange generates an
infinite series of diagrams, each containing a circle of pseudoparticle lines
with one light boson and n heavy bosons (or vice versa) dressed by con-
duction electron lines spanning at most three pseudoparticle lines (see
Fig. 1a)). The corresponding self-energies are obtained by functional
differentiation and are shown in Fig. 1b) in terms of vertex functions
(the dash- and cross-shaded half-circle areas).
The Green’s function of the physical d electrons can be calculated from
the exact relation that can be derived with the help of the equation of
motion
X
G~kk~′ (ω) = δ~kk~′ G~0k~k (ω) + 0 ∗ 0
~k~k ′ G~k~k (ω)V~k Gd (ω)Vk~′ Gk~′ k~′ (ω). (1.2)
 Diagrammatic theory of the Anderson model with finite U 3

2nd order diagram (UNCA)

NCA
a) Φ = + + + + +

+ + + + + ...

b) = +
= +
c) Σb = + -
Σa = + -
Σf = + -

Σc = + -

Figure 1 a)The Luttinger Ward functional, b) the Bethe-Salpeter equations for the
T-matrix vertices (dark and light shaded areas), c) the Contributions to the irreducible
self energies for pseudo-particles as well as for conduction electrons are shown.

The local conduction electron Green’s function can be expressed in terms

of the local conduction electron self energy Σc (see Fig. 1c)),
1
Gd (ω) = Σc (ω). (1.3)
V2

3. NUMERICAL RESULTS
The Kondo temperature was extracted from the width of the Abrikosov-
Suhl peak in the local electron Green’s function. The values we get from
the present approximation are in excellent agreement with the exact val-
ues known from the Bethe ansatz solution, as can be seen in Fig. 2. The
simple Non-Crossing Approximation (the first two terms in Φ in Fig. 1a)
gives Kondo temperatures several orders of magnitude too low. Includ-
ing one additional diagram does not increase TK sufficiently (U N CA)
(here we disagree with the corresponding claim in Ref. [5]). An infinite
series of skeleton ladder diagrams is needed to get the correct scaling of
TK with the Coulomb energy U and the local electron energy ǫd .
4
30
const * Tk 40
U=∞ ladder
Ed = −3Γ UNCA
30
U = −2 Ed Ed = −5Γ NCA
−1
10 TK
Ed = −6Γ 20 20
half−width/Γ

Γ = 0.05
−2
U = −2 Ed T=10 Tk 10

A(ω)
U = −2 Ed Γ = 0.01
U=∞
10
−2 U=4π Γ 0
εd=2 π Γ
−10 0 10
10
U ¯  U=∞
TK = min{−−2π√I exp(−π/I), √DΓ exp(−π/I)}
2ΓU
−3 I = − 
10 Ed(U+Ed)
0
1.0 1.5 2.0 2.5 3.0 −10 −5 0 5 10
−1
I

Figure 2 Left: Kondo temperature for various parameters (Ed and U ). Solid lines are
values of Tk from the Bethe-ansatz solutions. Right: Local electron spectral function
calculated with NCA, UNCA and the ladder approximation. The width of the peak
is proportional to the Kondo temperature.

4. SUMMARY
In summary, we have shown that an infinite number of skeleton dia-
grams is necessary to recover the correct dynamic energy scale (TK ) in
the Anderson impurity model with finite Coulomb interaction energy.
We found a systematic way to obtain those diagrams and have shown
that the approximation is derivable a from Luttinger-Ward functional
and therefore conserving. Numerical results show excellent agreement
with the exact values of TK .
This work was funded by the ESF Program on ”Fermi-liquid insta-
bilities in correlated metals” (FERLIN), and by SFB 195 der Deutschen
Forschungsgemeinschaft.

References
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Mod. Phys. 68, 13 (1996) .
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