Hopping on the Bethe lattice: Exact results for densities of states and dynamical mean-field
theory
Martin Eckstein,1 Marcus Kollar,1 Krzysztof Byczuk,2 and Dieter Vollhardt1
1Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute for Physics, University of Augsburg,
D-86135 Augsburg, Germany
2Institute of Theoretical Physics, Warsaw University, ul. Hoża 69, PL-00-681 Warszawa, Poland
共Received 29 September 2004; revised manuscript received 10 January 2005; published 30 June 2005兲
We derive an operator identity which relates tight-binding Hamiltonians with arbitrary hopping on the Bethe
lattice to the Hamiltonian with nearest-neighbor hopping. This provides an exact expression for the density of
states 共DOS兲 of a noninteracting quantum-mechanical particle for any hopping. We present analytic results for
the DOS corresponding to hopping between nearest and next-nearest neighbors, and also for exponentially
decreasing hopping amplitudes. Conversely it is possible to construct a hopping Hamiltonian on the Bethe
lattice for any given DOS. These methods are based only on the so-called distance regularity of the infinite
Bethe lattice, and not on the absence of loops. Results are also obtained for the triangular Husimi cactus, a
recursive lattice with loops. Furthermore we derive the exact self-consistency equations arising in the context
of dynamical mean-field theory, which serve as a starting point for studies of Hubbard-type models with
frustration.
limit Z → ⬁. The derivation of the spectrum for NN hopping The paper is structured as follows: In Sec. II we consider
has a long history involving many different methods.19–23 topological aspects of tight-binding Hamiltonians. In Sec. III
However, these methods are not immediately useful for a general operator identity for the Bethe lattice is derived,
longer-range hopping. Here we develop a method, based on which is used in Sec. IV to obtain the DOS for various hop-
the algebraic properties of so-called distance-regular graphs, ping ranges; the Appendix contains similar results for the
which can effectively treat arbitrary-range hopping on the triangular Husimi cactus. Hopping amplitudes for a given
Bethe lattice and certain other lattices. In particular, we de- DOS are constructed in Sec. IV D. In Sec. V the DMFT
rive an operator identity 关Eq. 共9兲兴 relating tight-binding self-consistency equations are derived. Our results are dis-
Hamiltonians Hd, which describe hopping between sites that cussed in Sec. VI. Throughout the paper we make contact
are d NN steps apart, to H1, the Hamiltonian for NN hop- with particular results for the DOS, Green functions, and
ping. This general result has several applications. For com- DMFT self-consistency equations which were previously ob-
parison with earlier methods we first note that the nonlocal
tained by other methods;35,40,41 a detailed comparison will be
Green function for NN hopping can be obtained via a rather
discussed in a separate publication.42
short route. We proceed to derive the exact density of states
共DOS兲 for arbitrary hopping and discuss in detail the case of
t1-t2 hopping and exponentially decreasing hopping. The in- II. TIGHT-BINDING HAMILTONIANS
verse problem, i.e., the construction of a tight-binding AND TOPOLOGICAL LATTICE PROPERTIES
Hamiltonian on the Bethe lattice corresponding to a given
DOS, is also solved. In this section we discuss relations among tight-binding
An important limit for any lattice is that of infinite coor- Hamiltonians for lattices that belong to a certain class of
dination number, Z → ⬁, since it always leads to a mean-field graphs. In general a graph G is defined as a set of vertices
theory of some sort.2 It is well known that for fermionic V = 兵i , j , k , …其 representing nodes or sites of a network, and a
lattice models the hopping matrix elements must then set of links between these vertices. In particular, any Bravais
be properly rescaled, e.g., t1 ⬃ 1 / 冑Z for NN hopping.24 In lattice is a graph with vertices and links corresponding to
this limit dynamical mean-field theory 共DMFT兲25–30 lattice sites and bonds between nearest neighbors, respec-
becomes exact, yielding self-energies that are local in space. tively. For a given lattice one distinguishes between the met-
In particular the Hubbard model may be mapped onto a ric and topological distance between two vertices i and j.
single-impurity problem with self-consistency condi- The metric distance is determined by the metric properties of
tion.29 Here the Bethe lattice leads to further simplifications, the space in which a graph is embedded. On the other hand,
e.g., in the solution of the self-consistency equations, partly the topological distance between sites i and j, denoted by dij
due to the resulting semielliptical density of states for NN hereafter, is the smallest number of links joining i and j. In
hopping, 共⑀兲 = 2冑1 − 共⑀ / D兲2 / 共D兲, where D is the half- this paper we only use the topological properties and dis-
bandwidth.21,22 Interestingly the algebraic band edges of this tances of the Bethe lattice. Note that the Bethe lattice can be
model DOS resemble those of three-dimensional systems. embedded in a hyperbolic 共Lobachevsky兲 space with metric
DMFT with this DOS has been instrumental in clarifying the properties different from Euclidian space.43
phase diagram of the Hubbard model, in particular concern- We now consider hopping Hamiltonians on an arbitrary,
ing the Mott transition from a paramagnetic metal to a para-
infinite graph; for simplicity we assume at most one link
magnetic insulator at half-filling.25–35
between two sites and no loops of length one. In terms of the
It should be noted that the Mott transition in the Hubbard
model with NN hopping is usually hidden by an antiferro- quantum-mechanical single-particle operator 兩i典具j兩, which re-
magnetic low-temperature phase,26,29,36 whereas for transi- moves a particle from site j and recreates it at site i, the
tion metal oxides such as V2O3 the Mott transition line ex- general tight-binding hopping Hamiltonian can be written as
tends beyond the antiferromagnetic phase boundary.37 In
order to describe this experimental phase diagram at least H= 兺
i,j苸V
tij兩i典具j兩 = 兺 t dH d ,
d艌0
共1a兲
qualitatively in terms of a Hubbard model, the strong ten-
dency toward antiferromagnetism must be reduced, e.g., by where
including the ever-present NNN hopping t2. This was dem-
onstrated within a DMFT setup in which the DOS remains Hd = 兺 兩i典具j兩 共1b兲
semielliptic, leading to a suppression of antiferromagnetism i,j苸V
without modification of the paramagnetic phase;29,36,38,39 the dij=d
results of this setup are valid for random hopping on the describes hopping between sites i and j separated by topo-
Bethe lattice.29,36 In the present work we consider standard logical distance d, i.e., tij = tdij. By definition all nonzero
tight-binding hopping without randomness; we find in par- matrix elements of H1 are equal to 1, i.e.,
再 冎
ticular that for t1-t2 hopping on the Bethe lattice the DOS is
no longer semielliptic but becomes asymmetric. We also 1 if dij = 1,
evaluate the exact DMFT self-consistency equations for ar- 共H1兲ij = 具i兩H1兩j典 = 共2兲
0 otherwise,
bitrary hopping on the Bethe lattice, including phases with
broken sublattice symmetry. Our results for t1-t2 hopping and H0 = 兺i兩i典具i兩 = 1 is the identity.
关Eq. 共65兲兴 differ from the corresponding equations employed The topological properties of a graph are completely de-
in Refs. 29, 36, 38, and 39; therefore the latter only apply to scribed by the nearest-neighbor hopping Hamiltonian H1.
random hopping. This concept is used in graph theory where H1 is called ad-
235119-2
HOPPING ON THE BETHE LATTICE: EXACT … PHYSICAL REVIEW B 71, 235119 共2005兲
jacency matrix.44 Furthermore, a simple interpretation can be 共H1兲4 = Z共2Z − 1兲1 + 共3Z − 2兲H2 + H4 . 共7c兲
given to the matrix elements of higher powers of the hopping
Hamiltonian H1, i.e., 共Hn1兲ij is the number of paths connect- By contrast, such relations do not exist for all path lengths n
ing sites i and j in n NN steps.44 Explicitly, one has and topological distances d on periodic lattices, although
low-order relations may be found for certain graphs. For ex-
共Hn1兲ij = 兺
k1,…,kn−1苸V
共H1兲ik1共H1兲k1k2 ¯ 共H1兲kn−1 j , 共3兲 ample, for the honeycomb lattice, which is similar to a Bethe
lattice with Z = 3 when taking at most two NN steps, H21 can
where a term in the sum on the right-hand side is equal to be related to H1 and H2 as in Eq. 共7a兲.
unity if the string of indices 共ik1k2 ¯ kn−1 j兲 represents a path
joining i and j, and is zero otherwise. Hence, 共Hn1兲ij is equal III. OPERATOR IDENTITIES FOR BETHE LATTICES
to the number of paths connecting i and j with n NN steps.
On the Bethe lattice the quantity 共Hn1兲ij turns out to be a We now determine the coefficients in Eqs. 共4兲 and 共6兲 for
function only of n and of the topological distance dij, while the Bethe lattice. These equations can be summarized as an
the specific positions of i and j are unimportant. Graphs with operator identity involving the hopping Hamiltonians Hd. As
this property are called distance regular in graph theory.45 an application the Green function for NN hopping is ob-
The triangular Husimi cactus, which is a set of triangles con- tained.
nected by vertices 共see the Appendix兲, is also distance regu-
lar, and hence this property does not depend on the absence A. Recursive relations and generating function
of loops. However, the situation is different for periodic
共Bravais兲 lattices. For example, given a site i on the two- We consider a Bethe lattice with coordination number
dimensional square lattice, there are two different positions Z 艌 2, i.e., branching ratio K = Z − 1 艌 1. In this case the co-
for a next-nearest-neighbor site 共dij = 2兲, one along an axis, efficients a共d兲
n in 共4兲 are obtained from a simple recursion,
the other on the diagonal of a plaquette. In the former case starting from a共0兲 共1兲
0 = a1 = 1. Namely, each path of length
there is only one path of length two between i and j, whereas n 艌 1 joining a site i to a different site j 共with d = dij 艌 1兲 is
in the latter case there are two paths. Thus for crystal lattices composed of a path that joins i to some nearest neighbor of j
not only topological distances but also specific positions play within n − 1 steps and one final step to j. Since for the last
a role in determining Hn1. step there is only one possibility, a共d兲
n is given by the number
For distance-regular graphs Hd can be written in terms of of possible paths with 共n − 1兲 steps between i and the nearest
powers of H1.45 We show this by first proving the inverse neighbors of j. Of the Z nearest-neighbor sites of j , Z − 1 are
relation, i.e., separated from i by a distance d + 1 and one by distance
n d − 1. Together with a similar argument for d = 0 we thus have
共H1兲n = 兺 a共d兲
the recurrence relations
n Hd , 共4兲
d=0
where a共d兲
n is the number of paths with n NN steps between a共d兲 共d+1兲 共d−1兲
n = Kan−1 + an−1 , d 艌 1, 共8a兲
sites separated by a topological distance d. This relation can
be easily verified by calculating the corresponding matrix
elements a共0兲 共1兲
n = Zan−1 , 共8b兲
n
共Hn1兲ij = 兺 a共d兲 a共n兲
n = 1, 共8c兲
n 共Hd兲ij . 共5兲
d=0
235119-3
ECKSTEIN et al. PHYSICAL REVIEW B 71, 235119 共2005兲
1 − x2
= 兺 H dx d .
1 − xH1 + Kx2 d=0
⬁
共9兲 Gij共z兲 = 具i兩 冉
1 x
兺
t1 1 − x2 d=0
⬁
H d x 冊
d
兩j典 =
1 xdij+1
t1 1 − x2
From this formal power series the coefficients in Eqs. 共4兲 and
共6兲 can be extracted in closed form. After some algebra we
=
2K
冉 2t1
共K − 1兲z + Z冑z2 − 4Kt21 z + 冑z2 − 4Kt21
冊 dij
,
find that the nonzero coefficient a共d兲 共d兲
n and An are given by 共15兲
a共n−2s兲
n =兺
s
r=0
冋冉 冊 冉 冊册
n
r
−
n
r−1
Kr , 共10兲
in agreement with Refs. 21 and 22. This yields the well-
known expression for the DOS of H̃1,
1 1 冑4 − 2
for 0 艋 2s 艋 n. By induction with respect to n it is also Z → ⬁ this leads to the familiar semielliptic density of states,
straightforward to verify that Eq. 共10兲 is the solution of the 冑4 − 2
recursion relations 共8兲. ⬁1 共兲 ª lim 1共兲 = , 共17兲
Note that in the limit of infinite connectivity, K → ⬁ 共or K→⬁ 2
Z → ⬁兲, one must scale24 Hd by Z−1/2
d , where Zd is the number as mentioned in the introduction, with half-bandwidth D = 2.
of sites that a given site is connected to by Hd. To leading For brevity, here and below we use the convention that any
order one has Zd ⬃ Zd ⬃ Kd; thus we introduce scaled opera- square root that appears in a DOS yields zero if its argument
tors, H̃d ª Hd / Kd/2. By computing coefficients we then obtain is negative.
from Eq. 共9兲 the relation
with Im z ⫽ 0. This will fit into Eq. 共9兲 if we set we find from Eq. 共12a兲 that H = F共H̃1兲 with
冉 冊
z = t1共1 + Kx2兲 / x, i.e., ⬁ *
td+2
F共x兲 = 兺 t*d − Ud共x/2兲, 共19兲
2t1 K
x= , 共14兲 d=0
z + 冑z2 − 4Kt1 2
where we used again the scaling td = t*d / Kd/2 and
with sgn共Im冑z2 − 4Kt21兲 = sgn共Im z兲. Since for the Bethe lat- H̃d = Hd / Kd/2 to facilitate the discussion of the limit Z → ⬁.
tice there is only one non-self-intersecting path connecting The eigenvalues ⑀ of H are thus related to the eigenvalues
sites i and j we have 具i兩Hd兩j典 = ␦d,dij, whence of H̃1 by the “dispersion relation”
235119-4
HOPPING ON THE BETHE LATTICE: EXACT … PHYSICAL REVIEW B 71, 235119 共2005兲
共⑀兲 = 冕 2
−2
1共兲␦关⑀ − ⑀共兲兴d 共21兲
= 兺 兩i⬘共⑀兲兩1关i共⑀兲兴, 共22兲
i
where the sum runs over all solutions i共⑀兲 of ⑀ = ⑀共兲. Ex-
plicit eigenfunctions 兩典 and eigenvalues 共兲 of H̃1 were FIG. 2. 共Color online兲 Density of states 共30兲 for pure NNN
obtained by Mahan in Ref. 23. hopping t2 = t*2 / 共Z − 1兲 ⫽ 0 on the Bethe lattice, for several numbers
We see that using Eqs. 共18兲–共22兲 the DOS can be easily of nearest neighbors Z; t*2 = 1 sets the energy scale. Divergences are
obtained for any tight-binding Hamiltonian. At most a simple marked on the horizontal axis.
numerical inversion of the polynomial ⑀共兲 needs to be per-
formed. Below we discuss the case of t1-t2 hopping as well the case of random t1-t2 hopping on the Bethe lattice.29,36
as an exemplary case of long-range hopping, for which this We now discuss some limiting cases of Eqs. 共26兲 and
inversion can be performed analytically. 共28兲. For t*2 → 0 共pure NN hopping兲 we recover Eq. 共16兲 since
then one of the roots i reduces to ⑀ / t*1 while the other di-
B. t1-t2 hopping verges. On the other hand, for t*1 → 0 the DOS for pure NNN
hopping 共with 兩t*2兩 = 1兲 is obtained,
The DOS for the Hamiltonian with nearest-neighbor 共t1兲
and next-nearest-neighbor 共t2兲 hopping can be found from 1 冑4 − p − ⑀
0,1共⑀兲 = = 0,−1共− ⑀兲. 共30兲
2 共1 − ⑀/Z兲冑p + ⑀
Ht*,t* ª t1H1 + t2H2 = t*1H̃1 + t*2H̃2 = t*2H̃21 + t*1H̃1 − pt*21,
1 2
1 + 4t2共t2 + ⑀兲兴
⌰关t*2 * * 2
冑4 − ⬁i 共⑀兲2 ops gradually. At some critical value x* = 1 / 5 a square-root
⬁
t*,t*共⑀兲 =
冑t*2 兺 2
, 共28兲 singularity appears at the left-hand side of the band. For
1 + 4t2共t2 + ⑀兲
* *
1 2 i=1 x ⬍ x* the DOS is a smooth function vanishing at both band
edges, whereas for x ⬎ x* there is a singularity at the lower
⬁ − t*1 ± 冑t*2
1 + 4t2共t2 + ⑀兲
* * band edge as well as a cusp within the band with diverging
1,2 共⑀兲 = . 共29兲 first derivative dt*,t*共⑀兲 / d⑀. With increasing x the cusp
2t*2 1 2
moves continuously to the upper band edge where it disap-
Note that for t*2 ⫽ 0 the DOS is asymmetric,35 in contrast to pears for x = 1. These features can be understood with the
235119-5
ECKSTEIN et al. PHYSICAL REVIEW B 71, 235119 共2005兲
FIG. 3. 共Color online兲 Density of states 共26兲 for t1-t2 hopping on FIG. 4. 共Color online兲 Same as Fig. 3, but for Z → ⬁ 关Eq.
the Bethe lattice with Z = 4 for selected values of x = t*2 / t*, where 共28兲兴.
t*1 , t*2 艌 0 , t* = t*1 + t*2 sets the energy scale. Divergences are marked
on the horizontal axis. pure NN hopping as obtained from 共15兲. For pure t2 hopping
共34兲 reduces to
冑
help of the dispersion relation Eq. 共24兲. The solutions 1,2
关Eq. 共25兲兴 of Eq. 共24兲 contribute only if they lie in the inter- ⬁ 1 1 1 1
G0,t*共z兲 = − − , 共35兲
val 关−2 , 2兴 of nonvanishing 1共兲. While for x ⬍ x* only 1 2 2t*2 t*2 4 1 + z/t*2
contributes, for x ⬎ x* both solutions contribute if ⑀ lies be-
tween the left band edge and the cusp, whereas only one with the square root given by its principal branch. The den-
solution contributes if ⑀ lies above the cusp. sity of states and Green function for pure NNN hopping
Finally we note that the local Green function can be ob- 关Eqs. 共31兲 and 共35兲兴 were previously obtained in Ref. 35
tained from the DOS by a Kramers-Kronig relation, i.e., using RPE.
⬁
Gt*,t*共z兲 =
1 2
冕 −⬁
⬁ t*,t*共⑀兲
1 2
z−⑀
d⑀ . 共32兲 C. Long-range hopping
For long-range hopping beyond NNN the expressions for
For the case Z → ⬁ this leads to the result 共⑀兲 and 共⑀兲 become rather complicated. However, the spe-
cial case of exponentially decreasing hopping amplitudes,
⬁
Gt*,t*共z兲 = 具i兩共z − t*1H̃1 − t*2H̃2兲−1兩i典 共33兲 td = wd−1t*, with Hamiltonian
1 2
⬁
⬁ ⬁
Gt*,0共z1兲 − Gt*,0共z2兲
Hw = t *
兺 wd−1H̃d ,
d=1
共36兲
=t*2 2 2
, 共34兲
z1 − z2 allows for an analytical solution 共here we assume 兩w兩 ⬍ 1 to
ensure convergence兲. The familiar case of pure t1 hopping
where z1,2 = 关−t*1 ± 冑t*2
1 + 4t2共z + t2兲兴 / 2
* *
and Gt⬁*,0共z兲 corresponds to w → 0. From Eq. 共9兲 it is straightforward to
= 共z − 冑z − 4t 兲 / 共2t 兲 is the usual local Green function for
2 *2 *2
obtain the corresponding dispersion relation as
235119-6
HOPPING ON THE BETHE LATTICE: EXACT … PHYSICAL REVIEW B 71, 235119 共2005兲
FIG. 5. 共Color online兲 Density of states for exponentially de- FIG. 6. 共Color online兲 Density of states for exponentially de-
creasing long-range hopping on the Bethe lattice 关Eq. 共36兲兴, for creasing long-range hopping between different sublattices 共“odd
t* = 1 and Z → ⬁. hopping”兲 for t* = 1 , Z → ⬁, and w ⬍ w*. Divergences are marked on
the horizontal axis.
⑀w共兲 = 冉
t* 1 − w2/K
w 1 − w + w2
−1 , 冊 共37兲 关⑀ = −pt* / 共1 + w兲兴, similar to the case of pure NNN hopping.
Note that for w → −1 this singularity moves to infinity albeit
with vanishing weight; most of the weight is near the other
i.e., ⑀w共兲 = t* + O共w兲. In the interval −2 艋 艋 2 , ⑀w共兲 is a
band edge in this limit.
monotonous function with inverse function w共⑀兲. The DOS
We note that by naively putting w = 冑K 共without address-
共⑀兲 is again calculated using Eq. 共22兲, ing questions of convergence兲 in the above results one recov-
t* 1 − w2/K 冑4 − w共⑀兲2 ers the case of infinite-range hopping, where each site is
w共 ⑀ 兲 = , 共38兲 connected to every other site 共“complete graph”兲 and
2 共w⑀ + t*兲2 p − w共⑀兲2/Z the underlying lattice structure becomes irrelevant. The
where again p = Z / K = 1 + 1 / K. In Fig. 5 w共⑀兲 is plotted for energy ⑀共兲 becomes constant in this case and we find
several values of w in the limit Z → ⬁. For 兩w兩 ⬍ 1 we find a w共⑀兲 → ␦共⑀ + t* / 冑K兲, in agreement with the result for
smooth DOS with finite bandwidth, while for w → 1 the up- infinite-range hopping on the hypercubic lattice, for which
per band edge 关where w共⑀兲 = 2兴 moves to infinity and the the corresponding Hubbard model is solvable.48
DOS decreases like ⑀−5/2 for large ⑀. D. Tight-binding Hamiltonian for arbitrary density of states
It is also interesting to consider only “odd” hopping, i.e.,
between different A and B sublattices, or “even” hopping In mean-field theories the dependence on the lattice typi-
between the same sublattices, although there is no immediate cally enters only through the DOS for free particles. For
physical motivation for this restriction. The Hamiltonians
⬁ ⬁
Hw− = t*兺d=1 wd−1Ĥ2d−1 and Hw+ = t*兺d=1 wd−1Ĥ2d describe odd
and even hopping with exponentially decreasing amplitudes,
respectively. They lead to the dispersion relations
共1 − w/K兲
⑀w− 共兲 = t* , 共39兲
共1 + w兲2 − w2
⑀w+ 共兲 = 冉
t* 共1 + w兲共1 − w/K兲
w 共1 + w兲2 − w2
−1 , 冊 共40兲
235119-7
ECKSTEIN et al. PHYSICAL REVIEW B 71, 235119 共2005兲
⌰共D − 兩⑀兩兲 冑1 + a + 冑1 − a
共⑀兲 = c , c= , 共44兲
冑1 + a⑀/D 4D
冕 冉 冊
employed, but when calculating two-particle quantities or
going beyond mean-field theory it is necessary to know the 2 2x − sin 2x s
= sin x sin共d + 1兲x dx, 共46兲
corresponding hopping amplitudes. They are also useful for 0 2
the realistic modelling of strongly correlated materials where
the DOS is obtained from ab initio calculations.30 In this where we have used the representation47 Un共x兲
section we show how to determine a tight-binding Hamil- = sin关共n + 1兲arccos x兴 / sin共arccos x兲 for the Chebyshev poly-
tonian H that corresponds to a given 共one-band兲 DOS 共⑀兲. nomials. Evaluating Eq. 共46兲 for s = 0,1,2 we obtain for the
For hypercubic lattices this task has already been addressed DOS 共44兲,
再 冎
in Refs. 35 and 49–51. Here we perform such a construction
for the Bethe lattice, based on the relation 共9兲. DR共d兲 for odd d,
We start again from the general hopping Hamiltonian t*d = 共47a兲
− 3M 1R共d兲 for even d,
共18兲. As noted above, the eigenvalues of H are given by the
冦 冧
dispersion relation ⑀共兲 = F共兲 关see Eq. 共19兲兴. We can thus
−1
use the methods of Blümer35,49 who found a similar map for d = 0,
between the spectra of H and H̃1 for the hypercubic lattice in 3
the limit of high dimensions. In the present case we choose 35
for d = 2,
242
F共兲 = 关n1共兲兴, 共41兲 R共d兲 =
−7
where
n1共兲 = 兰−2 1共⬘兲d⬘
and n共兲 = 兰⑀ 共⑀兲d⑀.
Here ⑀min for d = 4,
min 362
is the lower band edge of 共⑀兲 and 共n兲 denotes the inverse
function of n共兲. Then F⬘共兲 ⬎ 0 for −2 ⬍ ⬍ 2, and the − 128共d + 1兲
otherwise.
DOSs are related by 共d − 2兲d2共d + 2兲2共d + 4兲
2
共47b兲
1共兲 = F⬘共兲关F共兲兴, 共42兲
which indeed implies Eq. 共21兲. It remains to determine the In Fig. 8 we plot the hopping amplitudes t*d vs d, which
hopping parameters in Eq. 共18兲 for this choice of F共兲. Us- decay slower for large distances than in Eq. 共36兲, due to the
ing the orthogonality of the Chebyshev polynomials47 we algebraic behavior of R共d兲 ⬃ d−5. Note that the amplitudes
*
find that td+2 / K = t*d − ud, where for hopping between the same sublattices 共even d兲 are pro-
portional to M 1 = O共a兲 and thus vanish for the special case
ud = 冕−2
2
⬁1 共兲F共兲Ud共/2兲d. 共43兲
a = 0 共constant DOS兲. On the other hand, for different sublat-
tices 共odd d兲 the hopping amplitudes are independent of the
symmetry parameter a; except for t*1 ⬇ 0.58D they are all
For the remainder of this section we will consider only the negative and drop off quickly 共e.g., t*3 = 14t*5 ⬇ −0.033D兲. Re-
limit Z → ⬁, for which we have t*d = ud and n1共兲 = 关1 garding t*d / t*1 the quantitative difference between hopping for
+ ⬁1 共兲兴 / 2 + arcsin共 / 2兲 / , and u0 = 兰⑀共⑀兲d⑀ ¬ M 1 yields constant and semielliptic DOS 共pure NN hopping兲 is thus
the first moment of the target DOS. Even then the calculation surprisingly small.
235119-8
HOPPING ON THE BETHE LATTICE: EXACT … PHYSICAL REVIEW B 71, 235119 共2005兲
冕
Gin = 共G兲ii,,n = 兵关共G共0兲兲−1 − ⌺兴−1其ii,,n . 共53兲 2
1共兲
Therefore Gin and ⌺in can also be calculated from an aux- = d, 共59兲
−2 zn − F共兲
iliary impurity problem25 with the action
where zn = in + + h f − ⌺n , is the chemical potential,
Ai = 兺 ci*共in兲Gi−1
nci共in兲 and the dispersion relation F共兲 关see Eqs. 共19兲 and 共20兲兴 has
n,
been substituted. The general result 共59兲 thus yields the
−U 冕 0

*
ci↑ 共兲ci↑共兲ci↓
*
共兲ci↓共兲d , 共54兲
DMFT self-consistency equation in the homogeneous case
for arbitrary hopping. The special case of t1-t2 hopping is
discussed in Sec. V C.
according to
2. Phases with broken sublattice symmetry
Gin = 具ci*共in兲ci共in兲典Ai 共55兲
In the case of broken sublattice symmetry the local Green
function and self-energy depend on i through the sublattice
n − ⌺ in兴 ,
=关Gi−1 共56兲
−1
index ␥. Spontaneous breaking of this symmetry can be de-
so that the so-called Weiss field Gin can be eliminated and tected through the staggered magnetic field haf ; We also keep
two equations, 共53兲 and 共55兲 remain for Gin and ⌺in. the homogeneous field h f which permits phases with
The DMFT equations 共53兲–共56兲 are thus a closed set of ⌺An ⫽ ⌺B¯n.
equations for the self-energy of the Hubbard model 共48兲, and We start from the eigenbasis of the NN hopping Hamil-
become exact in the limit Z → ⬁. In practice these equations tonian H̃1, i.e., H̃1兩典 = 共兲兩典; these eigenstates may later be
are solved by iteration, and the dynamic impurity problem identified with those of Ref. 23. We use the sublattice trans-
235119-9
ECKSTEIN et al. PHYSICAL REVIEW B 71, 235119 共2005兲
formation 兩¯典 = 兺i共−1兲i兩i典具i 兩 典, which yields H̃1兩¯典 = −共兲兩¯典, t*2共zAn + zBn兲 + t*2
1
A=1+ , 共63b兲
and introduce wave functions that have nonzero amplitudes 2t*2
2
only on sublattice ␥, i.e., 兩␥典 = 共兩典 + ␥兩¯典兲 / 冑2. Using the
corresponding fermion operators c␥ we now transform the
tight-binding part Hhop of the Hubbard model with effective B= 冉 z An
t*2
+1 冊冉 z Bn
t*2
+1 , 冊 共63c兲
dispersion F关共兲兴,
and all square roots are given by their principal branches. A
Hhop + Hext = 兺 共cA† cB† 兲 more compact expression results if one solves for z␥n in
terms of Green functions, i.e.,
共兲⬎0
1 G¯␥n共1 − t2G¯␥n兲
t*2 *
冉 冊冉 冊
1
F+关共兲兴 − hA F−关共兲兴 c A z␥n = − t*2 + + .
⫻ , G␥n共1 − t*2G␥n兲 共1 − t*2 兺 G␥⬘n兲2
F−关共兲兴 F+关共兲兴 − hB c B ␥⬘
共60兲 共64兲
where h␥ = 共h f + ␥haf 兲 and F±共兲 = 关F共兲 ± F共−兲兴 / 2. Note In the present notation the Weiss field is given by
that the reduced interval for 共兲 is analogous to the halving G␥−1n = in + + h␥ + G␥−1n − z␥n. From Eq. 共64兲 follows the
of the magnetic Brillouin zone for regular crystal lattices. exact relation between Weiss field and interacting local
For the evaluation of the self-consistency equation 共53兲 Green function as
we include the self-energy and perform the matrix inversion.
1 G¯␥n共1 − t2G¯␥n兲
t*2 *
This yields the interacting local Green function as a function t*2
2 G ␥n
G␥−1n = in + + h␥ − − .
of the local self-energy, 共1 − t*2 兺 G␥⬘n兲2 共1 − t*2G␥n兲
␥⬘
兩具i兩␥典兩2兵z¯␥n − F+关共兲兴其
G ␥n = 兺 共65兲
共兲⬎0
兿 兵z␥⬘n − F+关共兲兴其 − F−关共兲兴2
␥⬘ Thus for nonrandom t1-t2 hopping the self-consistency equa-
冕
tion is more complicated than for the two-sublattice fully
2 1共兲关z¯␥n − F+共兲兴
= d, 共61兲 frustrated model with random hopping,29,36 in which all
−2 兿 关z␥⬘n − F+共兲兴 − F−共兲2 terms in parentheses are absent. Our algebraic derivation
validates Ref. 40, where Eq. 共65兲 was obtained using RPE
␥⬘
methods, which required the classification of many compli-
where i is any site belonging to sublattice ␥ and z␥n cated hopping processes. We also note that for U = 0 Eq. 共65兲
= in + + h␥ − 兺␥n. Equation 共61兲 thus yields the DMFT reduces to the same quartic equation that follows from Ref.
self-consistency equations for arbitrary hopping. 41 for the noninteracting Green function 关Eq. 共34兲兴.
The general expressions Eqs. 共59兲 and 共61兲 are the central The corresponding equation for the homogeneous case is
results of our paper regarding DMFT. Note that their deriva- obtained by setting haf to zero and dropping sublattice indi-
tion involved no counting of lattice paths or other combina- ces, i.e.,
冉 冊
torial efforts. Rather they were made possible by the disper-
1 共1 − t2Gn兲
t*2 *
sion relation F共兲 关Eqs. 共19兲 and 共20兲兴 which is due to the t*2
2
G−1n = in + + h f − + G n .
operator identity 共9兲. 共1 − 2t*2Gn兲2 共1 − t*2Gn兲
共66兲
C. t1-t2 hopping
Returning to Eq. 共65兲 we note that for pure NN hopping
We now specialize to t1-t2 hopping 关with dispersion rela-
共t*2 = 0兲 it reduces to the standard expression29
tion 共24兲兴 and the limit Z → ⬁. For the homogeneous case we
⬁
find from 共59兲 that Gn = Gt*,t*共zn兲, where the latter function G␥−1n = in + + h␥ − t*2
1 G¯␥n , 共67兲
1 2
was obtained in Sec. IV B 关Eqs. 共32兲–共35兲兴. The resulting while for pure NNN hopping 共t*1 = 0兲
Weiss field is discussed below 关Eq. 共66兲兴.
For broken sublattice symmetry we use Eq. 共61兲 with t*2
2 G ␥n
F+共兲 = 共2 − 1兲t*2 and F−共兲 = t*1. Performing the integral in G␥−1n = in + + h␥ − . 共68兲
1 − t*2G␥n
Eq. 共61兲 we find
In the former case there is strong sublattice mixing since
共− 1兲i关z¯␥n − 共2i − 1兲t*2兴冑i − 2冑i + 2
2
1 hopping takes place only between different sublattices. In the
G ␥n = +兺 , latter case we find no mixing at all since hopping is allowed
2t*2 i=1 2共22 − 21兲it*2
2
only between sites in the same sublattice.
共62兲
VI. DISCUSSION
where ±i are the poles of the integrand, given by
On the Bethe lattice and the triangular Husimi cactus the
i = 冑A ± 冑A2 − B, 共63a兲 number of possible paths joining two points is determined
235119-10
HOPPING ON THE BETHE LATTICE: EXACT … PHYSICAL REVIEW B 71, 235119 共2005兲
ACKNOWLEDGMENTS
共H1兲2 = 2Z1 + H1 + H2 , 共A1a兲
The authors thank N. Blümer, R. Bulla, G. Kotliar, and W.
Metzner for useful discussions. This work was supported in
part by the SFB 484 of the Deutsche Forschungsgemein- 共H1兲3 = 2Z1 + 共4Z − 1兲H1 + 2H2 + H3 , 共A1b兲
schaft 共DFG兲. Financial support of one of the authors 共K.B.兲
through KBN-2 P03B 08 224 is also acknowledged.
共H1兲4 = 共4Z − 1兲2Z1 + 5共2Z − 1兲H1 + 共6Z − 1兲H2 + 3H3 + H4 .
APPENDIX: THE TRIANGULAR HUSIMI CACTUS 共A1c兲
The triangular Husimi cactus is a set of triangles con-
nected in such a way that each vertex belongs to Z triangles Note that due to the presence of closed loops there are also
and each edge belongs to only one triangle 共see Fig. 9兲. Be- paths of odd length joining vertices with even distance and
low we show how to express powers of the NN hopping vice versa.
Hamiltonian H1 in terms of the hopping Hamiltonian Hd be- We now proceed similar to Sec. III. The recursion rela-
tween sites with topological distance d 关see Eq. 共1b兲兴. For ⬁
tions for the generating function Fd共u兲 = 兺n=0 a共d兲 n
n u can again
brevity we again set K = Z − 1 and p = Z / K, and employ scaled 46 F 共u兲 = f共u兲关ug共u兲兴d. After some al-
be solved by an ansatz d
operators H̃d = Hd / Kd/2. gebra we obtain the operator identity
235119-11
ECKSTEIN et al. PHYSICAL REVIEW B 71, 235119 共2005兲
relating nearest-neighbor and long-range hopping Hamilto- Ht*,t* = tH1 + t2H2 = t*1H̃1 + t*2H̃2 = tH1 + t2共H21 − H1 − 2Z1兲,
1 2
nians on the Husimi cactus. 共We omit explicit expressions for 共A5兲
the coefficients a共d兲 共d兲
n or An .兲 Note that Eq. 共A2兲 is somewhat
more complicated than the corresponding relation for the Be- due to Eq. 共A1a兲. As before we use the scaling t1 = t*1 / 冑K and
the lattice 关Eq. 共9兲兴. t2 = t*2 / K and find the eigenvalues ⑀ of H in terms of the
The Green function 共13兲 can now be obtained directly eigenvalues of H̃1, i.e.,
from Eq. 共A2兲, similar to Sec. III B. We find
⑀共兲 = t*22 + 共t*1 − t*2/冑K兲 − 2pt*2 , 共A6兲
xdij
Gij共z兲 = 具i兩共z − t1H1兲−1兩j典 = , 共A3兲 which has the roots 1,2共⑀兲 = 共 ± 冑2 + 兲 / 共2t*2兲, where
z − 2xZt1
where x = 关z / t1 − 1 + 冑共z / t1 − 1兲2 − 8K兴 / 共4K兲 and dij again de- t*2
=
冑K − t1, = 4t2共2pt2 + ⑀兲. 共A7兲
* * *
notes the topological distance between sites i and j. For H̃1
共i.e., t1 = 1 / 冑K兲 the DOS is given by
Finally the DOS is obtained by changing variables in Eq.
␦共 + 2兲 p 冑8 − 共 − 1/冑K兲2 共A4兲,
1共兲 = ␦K1 + ,
3 2 共p + /冑K兲共2p − /冑K兲 2
␦关⑀ + 2共t*1 − t*2兲兴 1关i共⑀兲兴
共A4兲 t*,t*共⑀兲 = ␦K1 +兺 . 共A8兲
1 2 3 i=1 冑2 +
implying a continuous spectrum in the interval 1 / 冑K − 冑8
艋 艋 1 / 冑K + 冑8 with an additional delta peak in the case The Husimi cactus is not a bipartite lattice, and the symmetry
K = 1. Previous derivations of 共A4兲 can be found for K = 1 in t*,t*共⑀兲 = −t*,t*共⑀兲 holds only for K = ⬁; this can be seen from
1 2 1 2
Ref. 22 and for K ⬎ 1 in Ref. 54. Note that Eq. 共A4兲 reduces Eq. 共A6兲. We omit plots of 共A8兲 since its behavior with vary-
to a semielliptical DOS for Z → ⬁. ing t*2 is rather similar to the DOS 共26兲 for the Bethe lattice.
1 H. A. Bethe, Proc. R. Soc. London, Ser. A 150, 552 共1935兲. 17 R. B. Laughlin and J. D. Joannopoulos, Phys. Rev. B 16, 2942
2
R. J. Baxter, Exactly Solved Models in Statistical Mechanics 共1977兲.
共Academic, London, 1982兲. 18 N. Mingo and L. Yang, Phys. Rev. B 68, 245406 共2003兲.
3 T. P. Eggarter, Phys. Rev. B 9, 2989 共1974兲. 19 W. F. Brinkman and T. M. Rice, Phys. Rev. B 2, 1324 共1970兲.
4 E. Müller-Hartmann and J. Zittartz, Phys. Rev. Lett. 33, 893 20 M. Chen, L. Onsager, J. Bonner, and J. Nagle, J. Chem. Phys. 60,
J. Elliott, and M. F. Thorpe, Phys. Rev. B 28, 3576 共1983兲. 共Springer-Verlag, Berlin, 1979兲.
6
C.-K. Hu and N. Sh. Izmailian, Phys. Rev. E 58, 1644 共1998兲, 22
M. F. Thorpe, in Excitations in Disordered Systems, edited by M.
and references therein. F. Thorpe 共Plenum, New York, 1981兲, pp. 85–107.
7
M. E. Fisher and J. W. Essam, J. Math. Phys. 2, 609 共1964兲. 23
G. D. Mahan, Phys. Rev. B 63, 155110 共2001兲. Note that in Ref.
8
J. Chalupa, P. L. Leath, and G. R. Reich, J. Phys. C 12, L31 23 only “shell-symmetric” eigenstates are obtained; only these
共1979兲. states contribute to the Green function and the density of states
9 Z. Q. Zhang, T. C. Li, and F. C. Pu, J. Phys. A 16, 2267 共1983兲. for an infinite Bethe lattice.
10
R. Abou-Chacra, D. J. Thouless, and P. W. Anderson, J. Phys. C 24
W. Metzner and D. Vollhardt, Phys. Rev. Lett. 62, 324 共1989兲.
6, 1734 共1973兲; R. Abou-Chacra, and D. J. Thouless, ibid. 7, 65 25
A. Georges and G. Kotliar, Phys. Rev. B 45, 6479 共1992兲.
共1974兲. 26 M. Jarrell, Phys. Rev. Lett. 69, 168 共1992兲.
11 A. D. Mirlin and Y. V. Fyodorov, Nucl. Phys. B 366, 507 共1991兲; 27 D. Vollhardt, in Correlated Electron Systems, edited by V. J. Em-
Phys. Rev. Lett. 72, 526 共1994兲; J. Phys. 共France兲 4, 655 ery 共World Scientific, Singapore, 1993兲, p. 57.
共1994兲. 28 Th. Pruschke, M. Jarrell, and J. K. Freericks, Adv. Phys. 44, 187
12
K. Efetov, Supersymmetry in Disorder and Chaos 共Cambridge 共1995兲.
29 For a comprehensive review see A. Georges, G. Kotliar, W.
University Press, Cambridge, U.K., 1997兲.
13 M. R. Zirnbauer, Phys. Rev. B 34, 6394 共1986兲.
Krauth, and M. J. Rozenberg, Rev. Mod. Phys. 68, 13 共1996兲.
14
P. D. Gujrati, Phys. Rev. Lett. 74, 809 共1995兲. 30
G. Kotliar and D. Vollhardt, Phys. Today 57, 53 共2004兲.
15 D. Weaire and M. F. Thorpe, Phys. Rev. B 4, 2508 共1971兲; M. F. 31 R. Bulla, Phys. Rev. Lett. 83, 136 共1999兲.
Thorpe and D. Weaire, ibid. 4, 3518 共1971兲; M. F. Thorpe, D. 32 M. J. Rozenberg, R. Chitra, and G. Kotliar, Phys. Rev. Lett. 83,
235119-12
HOPPING ON THE BETHE LATTICE: EXACT … PHYSICAL REVIEW B 71, 235119 共2005兲
34 R. Bulla, T. A. Costi, and D. Vollhardt, Phys. Rev. B 64, 045103 44 Selected Topics in Graph Theory, edited by L. W. Beineke and R.
共2001兲. J. Wilson 共Academic, New York, 1978兲, Graph Theory and The-
35
N. Blümer, Ph. D. thesis, Universität Augsburg, 2002; oretical Physics, edited by F. Harry 共Academic, New York,
available from http://www.physik.uni-augsburg.de/theo3/ 1967兲.
diss.vollha.en.shtml; N. Blümer and E. Kalinowski, Phys. Rev. 45 M. A. Fiol, Discrete Math. 246, 111 共2002兲.
B 71, 195102 共2005兲. 46 The recursion relations for a共d兲 are those of a so-called Riordan
n
36 M. J. Rozenberg, X. Y. Zhang, and G. Kotliar, Phys. Rev. Lett.
array, which has precisely this type of generating function; see,
69, 1236 共1992兲; M. J. Rozenberg, G. Kotliar, and X. Y. Zhang, e.g., D. Merlini, D. G. Rogers, R. Sprugnoli, and M. C. Verri,
Phys. Rev. B 49, 10181 共1994兲. Can. J. Math. 49, 301 共1997兲.
37 D. B. McWhan and J. P. Remeika, Phys. Rev. B 2, 3734 共1970兲; 47
Pocketbook of Mathematical Functions, edited by M. Abramow-
D. B. McWhan, A. Menth, J. P. Remeika, W. F. Brinkman, and itz and I. A. Stegun 共Harry Deutsch, Thun, 1984兲.
T. M. Rice, ibid. 7, 1920 共1973兲. 48 P. van Dongen and D. Vollhardt, Phys. Rev. B 40, 7252 共1989兲.
38 M. J. Rozenberg, G. Kotliar, H. Kajueter, G. A. Thomas, D. H. 49 N. Blümer and P. G. J. van Dongen, in Concepts in Electron
Rapkine, J. M. Honig, and P. Metcalf, Phys. Rev. Lett. 75, 105 Correlation, edited by A. C. Hewson and V. Zlatic, NATO Sci-
共1995兲. ence Series 共Kluwer, Dordrecht, 2003兲.
39 R. Zitzler, N.-H. Tong, Th. Pruschke, and R. Bulla, Phys. Rev. 50
M. Kollar, Int. J. Mod. Phys. B 16, 3491 共2002兲.
Lett. 93, 016406 共2004兲. 51 J. Wahle, N. Blümer, J. Schlipf, K. Held, and D. Vollhardt, Phys.
40 M. H. Radke de Cuba, Ph. D. thesis 共RWTH Aachen, 2002兲,
Rev. B 58, 12749 共1998兲.
available from http://www.bth.rwth-aachen.de/job/disslist.pl 52 S. Daul and R. M. Noack, Z. Phys. B: Condens. Matter 103, 293
41
D. Tanasković, V. Dobrosavljević, and G. Kotliar 共private com- 共1997兲; Phys. Rev. B 58, 2635 共1998兲.
munication兲. 53
D. Vollhardt, N. Blümer, K. Held, and M. Kollar, in Band-
42
M. Kollar M. Eckstein, K. Byczuk, N. Blümer, P. van Dongen, M. Ferromagnetism: Ground-State and Finite-Temperature Phe-
H. Radke de Cuba, W. Metzner, D. Tanasković, V. Dobrosavl- nomena, edited by K. Baberschke, M. Donath, and W. Nolting,
jević, G. Kotliar, and D. Vollhardt, cond-mat/0504637. Lect. Notes Phys. Vol. 580 共Springer, Heidelberg, 2001兲, p. 191.
43 J. A. de Miranda-Neto and F. Moraes, J. Phys. I 2, 1657 共1992兲; 54 J. Wahle, Diploma thesis, Universität Augsburg, 1997兲,
3, 29 共1993兲. This embedding is not unique, see, e.g., B. Söder- available from http://www.physik.uni-augsburg.de/theo3/
berg, Phys. Rev. E 47, 4582 共1993兲. diplom.vollha.en.shtml
235119-13