Pairing of holes by conning strings in antiferromagnets F. Grusdt1 2E. Demler3and A. Bohrdt4 5 1Department of Physics and Arnold Sommerfeld Center for Theoretical Physics ASC

2025-05-06 0 0 3.72MB 23 页 10玖币
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Pairing of holes by confining strings in antiferromagnets
F. Grusdt,1, 2, E. Demler,3and A. Bohrdt4, 5
1Department of Physics and Arnold Sommerfeld Center for Theoretical Physics (ASC),
Ludwig-Maximilians-Universit¨at M¨unchen, Theresienstr. 37, M¨unchen D-80333, Germany
2Munich Center for Quantum Science and Technology (MCQST), Schellingstr. 4, D-80799 M¨unchen, Germany
3Institut f¨ur Theoretische Physik, ETH Zurich, 8093 Zurich, Switzerland
4ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138, USA
5Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA
(Dated: October 6, 2022)
In strongly correlated quantum materials, the behavior of charge carriers is dominated by strong
electron-electron interactions. These can lead to insulating states with spin order, and upon doping
to competing ordered states including unconventional superconductivity. The underlying pairing
mechanism remains poorly understood however, even in strongly simplified theoretical models. Re-
cent advances in quantum simulation allow to study pairing in paradigmatic settings, e.g. in the
tJand tJzHamiltonians. Even there, the most basic properties of paired states of only two
dopants, such as their dispersion relation and excitation spectra, remain poorly studied in many
cases. Here we provide new analytical insights into a possible string-based pairing mechanism of
mobile holes in an antiferromagnet. We analyze an effective model of partons connected by a con-
fining string and calculate the spectral properties of bound states. Our model is equally relevant for
understanding Hubbard-Mott excitons consisting of a bound doublon-hole pair or confined states
of dynamical matter in lattice gauge theories, which motivates our study of different parton statis-
tics. Although an accurate semi-analytic estimation of binding energies is challenging, our theory
provides a detailed understanding of the internal structure of pairs. For example, in a range of
settings we predict heavy states of immobile pairs with flat-band dispersions – including for the
lowest-energy d-wave pair of fermions. Our findings shed new light on the long-standing question
about the origin of pairing and competing orders in high-temperature superconductors.
I. INTRODUCTION
The history of physics has repeatedly taught us that
nature tends to realize richer structures than one might
first suggest. The most important example, by far, is
constituted by the theory of atoms which has evolved
from Thomson’s featureless plum pudding model to our
current picture of precisely quantized energy shells and
a nucleus with structures down to the level of individ-
ual quarks. The only way to reveal such structures is
to perform increasingly more precise measurements, or,
with the benefit of hindsight and a microscopic Hamilto-
nian at hand, perform increasingly more precise numeri-
cal simulations. Here we address the question how much,
and which, structure paired charge carriers in correlated
quantum matter may have.
To date, important aspects of strongly correlated elec-
trons remain poorly understood. Part of the reason is
that the nature and microscopic structure of the emer-
gent charge carriers is not fully understood. Among the
most famous puzzles is the origin of pairing in high-
temperature superconductors [1,2], but similar questions
arise in heavy-fermion compounds [3], organic supercon-
ductors [4] and most recently twisted bilayer graphene [5].
However the problems are not limited to paired states of
matter: the nature of charge carriers in the exotic nor-
mal phases of these strongly correlated systems is likewise
Corresponding author email: fabian.grusdt@lmu.de
debated and subject of active research.
Remarkably, the prevailing picture of quantum matter
is one with more-or-less featureless charge carriers, with
little or no rigid internal structure taken into account in
calculations. Some theoretical approaches assume frac-
tionalization of quantum numbers, which leads to rich
and interesting physics, but short-range spatial fluctua-
tions are rarely considered in detail. Among the reasons
for this restriction is the difficulty to directly experimen-
tally visualize spatial structures of quickly fluctuating
charges. While ultracold atoms in optical lattices [6,7]
have taken very promising steps in this direction [8,9],
they too have not managed to fully visualize the internal
structure of doped charge carriers yet. Another reason
may be the lasting influence of Anderson’s RVB theory of
high-Tcsuperconductivity [10], which assumes point-like
charge carriers moving in a surrounding spin-liquid – in
some sense the antithesis of any theory assuming spatial
structures of charge carriers.
On the other hand, it is not for a lack of ideas which
kinds of internal structures could emerge: Even before
the discovery of high-Tcsuperconductors, Bulaevksii et
al. proposed the existence of string-like states with in-
ternal vibrational excitations [11], a view taken up by
Brinkman and Rice to understand dynamical properties
of charge carriers [12]; in 1988, Trugman applied this idea
to pairs of holes [13] and in the same year Shraiman and
Siggia analyzed two-hole string states in greater detail
[14]. Their conclusions at the time were mixed: while
they found mechanisms supporting pairing, they also
identified unfavorable effects such as frustration of the
arXiv:2210.02321v1 [cond-mat.str-el] 5 Oct 2022
2
pair-kinetic energy due to the underlying Fermi-statistics
of the holes. Today these works stand out as being among
the few and first attempting a description starting from
the strong coupling antiferromagnetic (AFM) Mott limit
(large Hubbard-U). But it appears that the community
then focused more on approaches inspired by the weak-
coupling (small Hubbard-U) limit of the theoretical mod-
els [2], which more naturally led to the magnon-exchange
picture [15]. There, magnetic fluctuations provide the
glue between point-like charge carriers, and the theoreti-
cal framework shares more similarities with the successful
BCS theory of conventional superconductors. As almost
all ideas in the field, this picture has been debated [16].
Nevertheless, over time the idea that charge carriers
have a pronounced spatial structure was reclaimed sev-
eral times. In 1996, Laughlin and co-workers proposed a
phenomenological parton theory of doped holes, includ-
ing a confining linear string tension [17,18]; different
kinds of spatial strings, termed phase-strings, were intro-
duced in 1996 by Weng and co-workers [19,20], and their
effect on pairing was recently analyzed [21]; signatures for
the more traditional Sz-string fluctuations were reported
in large-scale DMRG simulations by White and Affleck in
2001 [22]; in 2007 Manousakis proposed a string-based in-
terpretation of one-hole ARPES spectra and in the same
work envisioned a pairing mechanism of holes constantly
exchanging fluctuating strings [23]; in 2013 exact numer-
ical simulations by Vidmar et al. in truncated bases,
closely related to the string picture, have also revealed
signatures for pairs with a rich spatial structure [24]; al-
ready in 2000 and 2001 large-scale Monte Carlo simula-
tions by Brunner et al. [25] and Mishchenko et al. [26]
have revealed long-lived vibrational excitations of indi-
vidual doped holes; and in the past few years, the present
authors have added new evidence for the existence of
long-lived rotational and vibrational string states of in-
dividual charge carriers [2729]; Vibrational peaks have
also long been known to exist and recently further con-
firmed in linear-spin wave models of doped holes [3033].
Finally, Hubbard-Mott excitons formed by a bound pair
of a doublon and a hole [34] have been proposed to have
a rich internal structure [35?].
In this article, we revisit the idea that mobile dopants,
the charge carriers in doped AFM Mott insulators, can
form bound states with a rich spatial structure. Specifi-
cally, we derive a semi-analytical theory of pairs of holes
connected by a confining string which fluctuates only
through the motion of the charges at its ends. Our ap-
proach is very similar in spirit to the much earlier work
by Shraiman and Siggia mentioned above [14]; in fact we
confirm several of their predictions and discuss them in
the context of three decades worth of new results includ-
ing from far advanced numerics. This includes one of
their most exciting – though often overlooked – predic-
tion that two fermionic holes can form infinitely heavy
pairs with a flat-band dispersion at very low energies.
In fact, we find that that these flat bands have d-wave
character. This result sheds new light on the wealth of
competing ordered states observed in cuprates and nu-
merically found in the closely related tJand Fermi-
Hubbard models [3638].
Back-to-back with this article, we are publishing a sep-
arate work focusing on a numerical analysis of rotational
two-hole spectra in the tJzand tJmodels [39].
There we achieve full momentum resolution on extended
four-leg cylinders, and compare our numerical results to
the semi-analytic calculations performed in the present
article. The focus of the present article is on the semi-
analytical method itself, including its formal derivation.
Moreover, the calculations we perform here are applica-
ble in a larger class of models: as explained below, our
main assumption is that two partons on a square lattice
are connected by a rigid string Σ which creates a mem-
ory of the parton’s motion in the wavefunction. In the
case of mobile holes doped into an AFM Mott insula-
tor, the string directly encodes the prevalent spin-charge
correlations. But similar situations can be found in lat-
tice gauge theories in a strongly confining regime where
the dynamics of the corresponding electric field strings is
dominated by fast charge fluctuations.
The goal of our present work is primarily to understand
the properties of pairs of mobile dopants, i.e. their spatial
structure and energy spectrum, including their rotational
quantum numbers and effective mass. Previously much
emphasis has been on the question whether the dopants
pair up; i.e. about the magnitude and sign of the binding
energy
Ebdg = 2(E1E0)(E2E0) (1)
where Enis the ground state energy in the presence of
ndopants. While we also view this as an important is-
sue, we argue that it is often not a well-suited question
for a semi-analytical approach, since it strongly depends
on details; e.g. addressing it requires precise knowledge
of the one-hole energy. In this article we take the view
that the structure of the paired state can be very differ-
ent from the structure of one-dopant states. Our goal
is to understand the former, and we leave the question
of how and when excited (or ground) states of pairs can
decay into individual single-dopant states to future anal-
ysis (only a brief discussion within our model will be pro-
vided). Moreover, we note that the question of pairing is
not identical to a question about the existence supercon-
ductivity: instead of condensing into a superconductor,
pairs of holes may also crystalize and form a pair-density
wave at finite doping [40].
Nevertheless, we will address the origins of pairing
within our semi-analytical framework. To this end we
identify competing effects which tend to increase or de-
crease the binding energy. Our results shed new light
on earlier predictions [13,14]: (i) fermionic statistics of
the dopants frustrates the pair’s kinetic energy, which
is unfavorable for pairing; (ii) the most detrimental ef-
fect for pairing comes from the hard-core property of
two dopants, which cannot occupy the same site; More-
over, we reveal (iii) a geometric spinon-chargon repul-
3
sion in dimensions d2 which enhances the one-dopant
energy E1[41] and thus favors pairing. In addition to
all of these, further contributions stemming from low-
energy spin-fluctuations in the background are expected,
whose quantitative effects are more challenging to predict
and will thus be left to future work to explore. Finally,
we note that in specifically tailored settings our simpli-
fying assumptions become quantitatively accurate: In
Ref. [42] we proposed a mixed-dimensional bilayer model
with strong rung singlets where we demonstrated strong
string-based pairing of doped holes with a binding en-
ergy scaling as Ebdg 't1/3J2/3, when the hole tunneling
tJexceeds the rung super-exchange J. Recently, in a
closely related mixed-dimensional two-leg ladder, ultra-
cold fermions directly observed strong hole binding [43],
realizing a decades old toy model of pairing [44,45]. The
internal structure of hole pairs in these models can also
be described by the theoretical model we develop here.
This article is organized as follows. In Sec. II we briefly
discuss the microscopic models motivating our analysis.
Sec. III constitutes the main body of our article: there
we develop the effective string model to describe bound
states of two mobile partons connected by a strongly con-
fining string. Our focus is on two holes, but as we discuss
in detail in Appendix A, the formalism we develop is also
applicable to pairs of more general partons, in particular
spinon-chargon pairs [29]. In the second main part of the
article, Sec. IV, we present results from our analytical
formalism and discuss possible implications for general
pairing mechanisms in doped AFMs. We close with a
summary and outlook in Sec. V.
II. MICROSCOPIC MODELS
In this article we introduce and solve an effective the-
ory describing bound states of holes. As described in de-
tail in Sec. III, we will make approximations on the level
of both the Hilbert space and the Hamiltonian. Nev-
ertheless, our starting point are microscopic models of
doped AFM Mott insulators to which, we argue, our re-
sults apply within some approximations. Critical minds
should simply view these models as motivating our effec-
tive theory, although our numerical analysis in Ref. [39]
indicates remarkable similarities with the semi-analytical
predictions derived here.
The system most closely related to our effective theory
is constituted by the 2D tJzmodel on a square lattice,
with Hamiltonian
ˆ
HtJz=tˆ
PX
hi,jiX
σˆc
iˆcj+ h.c.ˆ
P+
+JzX
hi,ji
ˆ
Sz
iˆ
Sz
jJz
4X
hi,ji
ˆniˆnj.(2)
Here ˆcjdefines the underlying particles, with spin-index
σ=,and density ˆnj=Pσˆc
jˆcj; the tunneling
FIG. 1. We work in an effective Hilbertspace consisting of
pairs of dopants (red and blue) connected by a string Σ on a
square lattice. Every state |x1,Σiavoiding double occupan-
cies of any site with two dopants is associated with a unique
state |Ψ(x1,Σ)iin the microscopic model. (a) A typical ex-
ample with string length `Σ= 3. (b) Rare loop configurations
leading to double-occupancies of dopants have no correspon-
dence in the microscopic model.
amplitude tdescribes hopping of these particles, and ˆ
P
projects on a sector with a given total number of dou-
blons, holes and singly-occupied sites. Jz>0 is an AFM
Ising coupling between the spins ˆ
Sz
j=Pσ(1)σˆc
jˆcj
which we assume to be antiferromagnetic throughout.
In principle the Hamiltonian in Eq. (2) can be defined
with particles ˆcjof any exchange statistics, bosonic or
fermionic. While this makes no difference for zero and
one mobile dopant, the statistics plays an important role
if two dopants of the same type are considered. Since the
fermionic case is more closely related to the celebrated
Fermi-Hubbard model with its AFM ground state at half
filling, it usually takes center stage. However, we find it
instructive to consider the bosonic version – without any
direct connection to a Hubbard Hamiltonian – as well.
In fact, quantum simulators using ultracold atoms have
been proposed which allow the realization of both cases
in experiments [4649].
Likewise, we can consider the AFM tJmodel in a
2D square lattice with arbitrary underlying statistics. Its
Hamiltonian is given by
ˆ
HtJ=tˆ
PX
hi,jiX
σˆc
iˆcj+ h.c.ˆ
P+
+JX
hi,ji
ˆ
Si·ˆ
SjJ
4X
hi,ji
ˆniˆnj.(3)
Now J > 0 is the strength of antiferromagnetic SU(2)-
invariant Heisenberg interactions between spins ˆ
Sj=
Pα,β ˆc
j1
2σαβ ˆcj.
In both the tJand tJzmodels, different types
of dopants can be considered. The most often studied
case, which is also our primary focus, constitutes pairs
of two indistinguishable holes; owing to the particle-hole
symmetry of the models, one can interchangeably con-
sider two indistinguishable doublons however. A second,
closely related case corresponds to Hubbard-Mott exci-
tons [35], where pairs of doublons and holes can form. In
this case, exchange statistics again plays no role on the
level of the tJ(z)model, since the dopants define distin-
guishable conserved particles. Experimentally, all these
4
situations can be addressed by state-of-the-art ultracold
atom experiments [6,7].
III. EFFECTIVE STRING MODEL
In this section, we introduce an effective string model
to describe tightly bound pairs of two holes. Our ap-
proach is motivated by considering two dopants moving
in a N´eel state, modeled by the 2D tJzor tJmodel.
To make analytical progress, we perform approximations
on the effective Hilbert space (see Fig. 1) as well as the
effective Hamiltonian. While we expect our approximate
description to be most accurate for the tJzmodel, it
should also capture the essential physics of related mod-
els, such as the tJmodel, as long as charge fluctuations
dominate, tJ, and they feature strong local AFM
correlations at zero doping. In these cases, the geometric
string approach, developed originally for single dopants,
can be applied [8,11,12,14,27].
In the subsequent sections, we will always talk about
paired holes and consider different kinds of statistics.
However, as discussed in Sec. II, these can interchange-
ably be considered as general types of dopants, or even
more generally as two partons.
A. String Hilbert space and effective Hamiltonian
In a perfect N´eel state the motion of a hole leaves be-
hind a string Σ of displaced spins, which allows to as-
sociate distinct hole trajectories with orthogonal states
|Ψ(Σ)iin the quantum many-body system (Fig. 1); here
strings denote hole trajectories with all self-retracing
components removed. Exceptions, where two different
strings Σ16= Σ2correspond to identical many-body
states |Ψ(Σ1)i=|Ψ(Σ2)i, are associated with so-called
Trugman loops [13]. Since the number of Trugman loops
is small compared to the exponentially growing number
of string states (Tab. I), their effect is generally found
to be small [13,27]. Although in exceptional cases the
small effect of loops can still dominate, e.g. for the very
narrow center-of-mass dispersion of a single hole in the
2D tJzmodel [13,50], we neglect such loops in the
following and study only the dominant effects of string
formation. Loop effects can be re-introduced perturba-
tively in the end [27].
1. Hilbert space
While the set of string states {|Ψ(Σ)i} defines an over-
complete basis, we approximate our Hilbertspace and for-
mally define a set of two-hole string states:
|x1,Σi,x1Z2,ΣBL.(4)
Here x1denotes the location of the first hole in the 2D
square lattice, and Σ is the string which connects x1to
`Σno. of states d(`Σ) double-occupancies Trugman loops
1 4 0 0
2 12 0 0
3 36 0 0
4 108 7.4% 0
5 324 0 0
6 972 2.5% 0
7 2,916 0 0.55%
8 8,748 0.91% 1.3%
TABLE I. Imperfections of the string model. The string
basis with two distinguishable holes includes states |x1,Σi
corresponding to unphysical double-occupancies of holes in
the associated microscopic states |Ψ(x1,Σ)i. Their relative
fraction of all string states N(`Σ) of a given length `Σis indi-
cated. The relative number of Trugman loop configurations
[13] is also shown.
x2=x1+RΣat its opposite end (Fig. 1). The strings Σ
can be represented by the sites of a Bethe lattice (BL),
or Cayley tree, with coordination number z= 4, see
Fig. 2(a). Similar to the construction of the celebrated
Rokhsar-Kivelson quantum dimer model [51], we postu-
late that the new basis states are orthonormal,
hx0
1,Σ0|x1,Σi=δΣ,Σ0δx1,x0
1.(5)
Every new basis state is associated with a unique mi-
croscopic two-hole state |Ψ(x1,Σ)iin the original tJz
or tJmodel. Some states in the new model describe un-
physical double occupancies with holes: in this case the
associated state becomes |Ψ(x1,Σ)i= 0 (Fig. 1). The
fraction of such strings is relatively small, however, and
decreases with increasing string lengths (Tab. I).
So far we work in first quantization and assign separate
labels to the two holes. Later (see III D) we will gener-
alize our approach to situations with indistinguishable
holes, with bosonic or fermionic statistics.
2. Effective Hamiltonian
Next we define the effective Hamiltonian ˆ
Heff in the
approximated Hilbert space of the string model. To this
end we require that the matrix elements satisfy:
hx0
1,Σ0|ˆ
Heff |x1,Σi=hΨ(x0
1,Σ0)|ˆ
H|Ψ(x1,Σ)i,(6)
where ˆ
Hcorresponds to the respective microscopic model
Hamiltonian (tJz,tJ,...).
As a result of the microscopic nearest-neighbor (NN)
hopping t2of hole 2 at site x2on the lattice, we obtain
NN hopping on the Bethe lattice (Fig. 2(b)):
ˆ
Heff
t,2=t2X
x1|x1ihx1| ⊗ X
hΣ0,Σi|Σ0ihΣ|+ h.c. (7)
The NN hopping t1of hole 1 gives rise to a correlated
NN tunneling of x1and a simultaneous change of the
5
FIG. 2. The hopping part of the effective Hamiltonian ˆ
Heff
t
describes NN tunneling of holes 1 (t1) and 2 (t2) on the square
lattice. The string Σ from hole 1 to 2 changes accordingly. We
illustrate a typical initial state (a), which is coupled to neigh-
boring string states on the Bethe lattice by t2(b). The cou-
pling t1creates a string state Σ(1) which is a further neighbor
of Σ on the Bethe lattice, either by re-tracing (b) or extending
(d) the first string segment.
first string segment of Σ Σ(1)(x0
1,x1,Σ):
ˆ
Heff
t,1=t1X
hx0
1,x1iX
Σ|x0
1ihx1|⊗|Σ(1)(x0
1,x1,Σ)ihΣ|+ h.c..
(8)
If the first string segment in Σ points along x0
1x1,
it is removed to obtain Σ(1) (Fig. 2(c)); otherwise, the
string is extended by adding a new string segment point-
ing along x0
1x1at the beginning of Σ to obtain Σ(1)
(Fig. 2(d)).
Similarly, we obtain the potential terms ˆ
Heff
Jin the ef-
fective Hamiltonian. They do not change the positions
x1,2of the holes, and we neglect off-diagonal matrix el-
ements (6) for which Σ06= Σ. Hence, formally we can
write:
ˆ
Heff
J=X
x1X
Σ
VΣ|x1,Σihx1,Σ|,(9)
where VΣis a function of Σ on the Bethe lattice only.
Note that Trugman loops correspond to local minima in
the Bethe lattice potential VΣ, which allows for a system-
atic tight-binding treatment of Trugman loops within our
model so far, even when t1,2Jor Jz[27].
The complete effective Hamiltonian we consider is
ˆ
Heff =ˆ
Heff
t,1+ˆ
Heff
t,2+ˆ
Heff
J.(10)
3. Linear string approximation
Since the dimension of the string Hilbert space grows
exponentially with the maximum string length `max,
dtot(`max) =
`max
X
`Σ=1
4×3`Σ1
| {z }
=d(`Σ)
,(11)
further approximations are required to make analytical
progress. For a general string potential VΣ, all states
in the string Hilbert space are coupled to each other by
the tunneling terms. Next, by simplifying the poten-
tial VΣ, many symmetry sectors emerge which are only
weakly coupled and can be described by a simpler effec-
tive Hamiltonian that will be derived.
Since we are mostly interested in the regime tJ,
we expect that inhomogeneities of VΣon the scale of J
play a sub-dominant role. Such fluctuations of VΣfrom
string to string (or site to site on the Bethe lattice) re-
sult from string-string interactions [52], and appear like
a weak disorder potential. We can include their effect
on a mean-field level by averaging the potential over all
strings of a given length:
V(`) = 1
d(`)X
Σ:`Σ=`
VΣ.(12)
The resulting problem is highly symmetric since all
branches on the Bethe lattice corresponding to the same
string length are equivalent.
As a further approximation, we can estimate the
string-length potential V(`)VLST(`) by considering
only straight strings in Eq. (12). Since string-string in-
teractions are always attractive, this linear string theory
(LST) estimate also defines an upper bound for the av-
eraged potential:
V(`)VLST(`) = dE
d` ×(`Σ1) + g(0)
cc δ`Σ,1+µcc.(13)
Here dE/d` denotes the linear string tension, g(0)
cc is a
nearest-neighbor hole-hole interaction, and µcc an over-
all energy shift. The overall energy of the two holes is
measured relative to the undoped parent antiferromag-
netic state.
In the case of a microscopic tJzmodel, we obtain:
dE
d` =Jz, g(0)
cc =Jz
2, µcc = 4Jz.(14)
More generally, we can derive the LST potential by ap-
plying the frozen spin approximation and expressing the
potential in terms of local spin-spin correlations of the
undoped parent antiferromagnet, see Refs. [27,41]. For
a doped J1J2spin model on a square lattice, with NN
hopping of the holes, this yields:
dE
d` = 2J1(C2C1)+2J2(C1+C42C2),(15)
g(0)
cc =J1C1J
4,(16)
µcc =8J1C1+J2C2J
4.(17)
Here J1and J2denote the NN and diagonal NNN Heisen-
berg couplings on the square lattice; Jdenotes the
strength of the local attraction J/4ˆniˆnjin Eq. (3) and
is treated as an independent parameter here. The cor-
relators are C1=hˆ
Siˆ
Si+exi(NN), C2=hˆ
Siˆ
Si+ex+eyi
(NNN), C3=hˆ
Siˆ
Si+2exiand C4=hˆ
Siˆ
Si+2ex+eyi; they
depend on the ratio J1/J2[53].
摘要:

Pairingofholesbycon ningstringsinantiferromagnetsF.Grusdt,1,2,E.Demler,3andA.Bohrdt4,51DepartmentofPhysicsandArnoldSommerfeldCenterforTheoreticalPhysics(ASC),Ludwig-Maximilians-UniversitatMunchen,Theresienstr.37,MunchenD-80333,Germany2MunichCenterforQuantumScienceandTechnology(MCQST),Schellingst...

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