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Exact solution of the 2D “ brickwork ” Ising model with second neighbour interactions in the horizontal direction

R. Bidaux, L. de Seze

To cite this version:

R. Bidaux, L. de Seze. Exact solution of the 2D “ brickwork ” Ising model with second neigh- bour interactions in the horizontal direction. Journal de Physique, 1981, 42 (3), pp.371-379.

�10.1051/jphys:01981004203037100�. �jpa-00209020�

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371

LE JOURNAL DE PHYSIQUE

Exact solution of the 2D « brickwork » Ising model

with second neighbour interactions in the horizontal direction

R. Bidaux and L. de Seze

DPh-G/PSRM, CEN Saclay, B.P. 2, 91190 Gif-sur-Yvette, France

(Reçu le 21 août 1980, accepté le 13 novembre 1980)

Résumé.

2014

Boehm et Bak [11] ont analysé, dans l’approximation de champ moléculaire, un modèle qui conduit

à un diagramme de phases figurent des transitions multiples entre phases commensurables. Il se trouve qu’un

modèle d’Ising bidimensionnel, présentant les mêmes propriétés en champ moléculaire, peut être résolu exactement.

Ce modèle est construit sur un réseau en mur de briques, et sa fonction de partition est calculée dans le cadre des

hypothèses suivantes :

i) Dans la direction verticale, les premiers voisins sont couplés par des interactions ferromagnétiques 2 J’ (J’ > 0).

ii) Dans la direction horizontale, les premiers voisins sont couplés par des interactions ferromagnétiques J (J > 0)

et les seconds voisins sont couplés par des interactions arbitraires J2.

Les résultats sont discutés en fonction du paramètre J2/J. On trouve en particulier que :

1) Pour J2/J > - 1/2, le système s’ordonne ferromagnétiquement à une température critique Tc = 1/kB 03B2c

définie par

tanh 2 03B2c J’. sinh 2 03B2c J. exp 4 03B2c J2 = 1.

2) Pour J2/J ~ 2014 1/2, aucune phase ordonnée n’apparaît, même à température nulle. Les états fondamentaux et leur dégénérescence sont examinés. Les résultats obtenus sont comparés avec ceux donnés par traitement de

champ moléculaire qui prédit l’existence d’un escalier du diable, et avec ceux fournis par une étude Monte-Carlo récente pour le modèle ANNNI bidimensionnel [13].

Abstract.

2014

Boehm and Bak [11] have analysed, within the mean field approximation, a model which leads to a

phase diagram including multiple phase transitions between commensurate phases. It happens that an exactly

soluble two-dimensional Ising model exhibiting similar mean field features, is available. This model is built on a

brickwork lattice, and its exact partition function is obtained within the following assumptions : i) In the vertical direction, nearest neighbours are coupled by ferromagnetic interactions 2 J’ (J’ > 0).

ii) In the horizontal direction, nearest neighbours are coupled by ferromagnetic interactions J (J > 0) while next-

nearest neighbours are coupled by arbitrary interactions J2.

Results are discussed with respect to the value of the ratio J2/J. It is found in particular that :

1) For J2/J > 2014 1/2, the system orders ferromagnetically at a critical temperature Tc = 1/kB 03B2c defined by

tanh 2 03B2c J’. sinh 2 03B2c J. exp 4 03B2c J2 = 1.

2) For J2/J ~ - 1/2, no ordering occurs even at zero temperature. Ground states and their degeneracy are

examined. These results are compared with those obtained for the same system in the mean field approximation,

which predicts the existence of a devil’s staircase behaviour for the periodicity versus temperature curve, and with those given for the two-dimensional ANNNI model by a recent Monte-Carlo study [13].

J. Physique 42 (1981) 371-379 MARS 1981,

Classification

Physics Abstracts

75.10H

Article published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphys:01981004203037100

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372

1. Introduction.

-

Increasing interest has focused

recently on Ising models with competing interactions,

in connection with other attempts to obtain a better theoretical understanding of ill-condensed magnetic

systems. When competing interactions are suitably introduced, the corresponding magnetic system beco-

mes frustrated, i.e. it is impossible to find a configura-

tion which enables each pair of interacting spins to

minimize separately its energy. As a result one can

hopefully (and one does) observe phase diagrams with

a richer variety of order parameters.

Among frustrated systems, those characterized

by a periodic distribution of the interactions deserve

special interest due to the fact that, according to the dimensionality and the range of interactions, exact solutions may be obtained for thé partition function

at zero applied field and for the pair correlations [1-3J.

Competition between interactions can, as a rough description, be introduced i) with [4-7] or ii) without [9]

calling upon interactions involving further than nearest neighbours (the degree of neighbourhood,

when defined by comparing mutual distances between points of space at dimensions higher than one, has

an ambiguous definition since these distances may have their hierarchy modified by homotopic defor-

mations of the lattice). Exact solutions at d = 1 (i))

and d = 2 (i) and ü)) have been obtained [4, 6], in

which the seed of pathological features is already

present.

A special version of case i), the axial next-nearest

neighbour Ising (ANNNI) model, first invented by

Elliott [7], has known a recent revival owing to its display of an extremely rich phase diagram including

modulated magnetic structures and incommensurate,

commensurate transitions. This model has been

examined in the case d = 3 [10, 11 ] using mean field approximation and Landau-Ginzburg free energy expansions, then studied for d > 2 by means of

Monte-Carlo methods [12] and low-temperature expansions [8].

A recent study [13] of the ANNNI model for d = 2

(uniaxial model) making use primarily of Monte-

Carlo data has been performed. This model consists of Ising spins, s = ± 1, on a square lattice with ferro-

magnetic interactions J > 0 between nearest neigh-

Fig. 1.

-

Sketch of the phase diagram for the uniaxial model accord-

ing to W. Selke and M. Fisher.

bours and arbitrary interactions J2 between next-

nearest neighbours along one direction. The cor-

responding phase diagram obtained by the authors is sketched in figure 1.

Although the uniaxial mode( quite unfortunately,

cannot be solved exactly, at least with the techniques

available to date, it turns out that another mode(

apparently very similar, can be solved exactly. In the

next section, we describe this model and determine its

partition function. In the third section, the ground

states of the system will be examined. In the fourth and last section, the similarities and discrepancies

between our model and the uniaxial model will be discussed.

2. The uniaxial brickwork lattice model.

-

2.1 DESCRIPTION.

-

The uniaxial brickwork lattice model is pictured in figure 2. The spins (s = ± 1) located

on the lattice interact according to the following rules : i) In the vertical direction, connected nearest neighbours are coupled by ferromagnetic inter-

actions 2 J’ (J’ > 0).

ii) In the horizontal direction, nearest neighbours

are coupled by ferromagnetic interactions J (J > 0)

while next-nearest neighbours are coupled by arbi- trary interactions J2.

As can be seen from figure 2, bonds between inter-

acting spins can be drawn without crossing points ;

this is a necessary condition for being able to evaluate

the partition function, which fails to be met by the

uniaxial model.

Fig. 2.

-

The uniaxial brickwork lattice.

The partition function of the uniaxial brickwork lattice model (referred to as UBL model hereafter

for the sake of simplicity) will be now evaluated using

the Pfaffian technique. To do so, we start from a rectangular lattice with periodic interactions described in figure 3a. The corresponding partition function

can be determined in terms of the four interactions X, J, J2, J’ and the temperature, but its calculation is too lengthy and cumbersome to be reproduced here,

since the analytical expansion of a 16 x 16 determi-

nant is involved; the main steps and results are

indicated in the Appendix. If now interaction X is

assumed positive and tends to infinity, each pair of

spins connected by a X bond will be constraint to

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Fig. 3.

-

Step by step transformation of the primitive rectangular

lattice into the uniaxial brickwork lattice.

remain parallel and will be equivalent to a single,

two-state fictitious spin. This condensation of the X bonds amounts to be left with the lattice shown in

figure 3b, for which the number of spins is half the number of spins in the original lattice of figure 3a.

Figure 3c is a simple transcription of figure 3b which

shows how effective bonds 2 J’ are created. After

flattening each strip of zigzag J bonds one finally

obtains in figure 3d the UBL model just described except for an interchange of the crystallographic

axes.

2.2 PARTITION FUNCTION.

-

The partition function per spin of the UBL model is obtained from expres- sions (A. 6) and (A. 7) of the Appendix. One finally finds :

where

and A, B, C, D are defined as follows :

2. 3 CRITICAL CONDITIONS.

-

One now looks for the zeroes of A(0, (p). As a first insight one notes that

so that a critical temperature corresponding to a paramagnetic-ferromagnetic transition (0 = cp = 0) may be temporarily registered provided the equation A + B + C + D = 0 has a solution.

Complete inspection of A(0, (p) shows that no other

solution can be obtained ; in particular, the interaction

-

and temperature

-

dependent angular solutions of (DAID9 = o ; ôA/60 = 0) never yield A = 0. Since A

is a continuous function with respect to fl, 0, cp, no

singularity in the partition function except that arising from (0 = 0; cp = 0; A + B + C + D = 0)

can take place. From (2.3) the transition condition

can be defined by :

As can easily be seen, given three interactions J, JZ

and J’ satisfying the assumptions listed in section 2. 1,

no solution of (2.4) can be found if J2 - 2 J, i.e.

when the ground state of an isolated horizontal chain of spins is a 22 ) antiphase. If JZ > - 2 J (which

conditions a ferromagnetic ground state for the isolat- ed horizontal chain), a unique solution fi,,, is found.

For J2 = - 2 J, Pc - + oo can be considered as a limiting solution and expresses the fact that

(J 21J = - 1/2, T = 0) will play the role of a multi-

critical point in the phase diagram.

Figure 4 displays a set of transition curves in the

(J21J; kB T/J ) coordinates, corresponding to succes-

sive given values of the ratio J’/J. One may note that several standard transition conditions pertaining

to familiar models can be obtained from (2.4) by

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374

Fig. 4.

-

Transition curves of the UBL model.

considering peculiar choices of the interactions : for example, if JZ = 0 the critical condition tanh 2 j8e J’. sinh 2 Pc J = 1 for the usual brickwork

(honeycomb) lattice with three interactions J, J and

2 J’ is recovered ; on the other hand, by letting J’

go to + oo, the UBL model maps onto a triangular

lattice with three interactions J, J and 2 J2 for which

the critical condition is given by

3. Ground states of the UBL model.

-

Due to the nature of the vertical coupling in the brickwork lattice, the minimization of the total energy can be achieved in two successive steps which consist in

minimizing separately the self energy of each hori- zontal chain, then ensuring that the corresponding respective ground states of two adjacent horizontal

chains are compatible, i.e. any two spins coupled by a

vertical bond 2 J’ should be parallel.

3. 1 J2 = - 1/2 J.

-

In this case, ground states

of an isolated horizontal chain are characterized

by the interdiction, for any block of three consecutive

spins, to adopt a (1 1 1) or a (i 1 J,) configuration.

When condition JZ = - 2 J is taken into account, the partition function (2.1) of the UBL model becomes :

with

As mentioned previously, no transition is found. In the low temperature limit (f3 --+ + co), one can easily show

that

and a residual zero point entropy per spin

is found, which corresponds to half that of the pure antiferromagnetic triangular lattice.

The situation at T = 0 can be better understood

by retuming to the description of the lattice as given

in figure 3c. This is done in figure 5a where only

horizontal zigzag strips have been displayed (the

choice of the horizontal direction is the same as in

figure 2 which is taken as a reference for the brickwork

construction). For obvious reasons, a ground state

of the UBL model will be obtained if and only if

the following conditions are simultaneously satisfied :

i) no vertical 2 J’ bond should be frustrated ; ii) every elementary triangular plaquette should have one and

only one frustrated bond (although each of these

plaquettes has two J bonds and one ( - J/2) bond,

the frustration energy is identical for both types of bonds since a frustrated J bond is involved in two

adjacent plaquettes whereas a frustrated (- J/2)

bond is involved in only on plaquette). Therefore the ground states of the UBL model, when J2 = - J/2,

can be deduced by a one-to-one correspondence,

from those of the lattice obtained by condensing each

of the 2 J’ bonds into a point while each pair of parallel

spins previously connected via a 2 J’ bond becomes

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Fig. 5.

-

J 2/J = - 1/2. a) A horizontal chain of the UBL model with hanging vertical bonds, after returning to the zigzag repre- sentation ; an elementary frustrated triangle ; contours of adjacent elementary frustrated triangles. b) Dimer representation of the ferromagnetic ground state. c) Dimer representation of a 22 ) antiphase ground state. d) A ground state with wave vector n/3

along the zigzag path (2 n/3 along the horizontal direction) : heavy

circles correspond to zero local field and respective spins can choose arbitrary directions ; the same one, completed, in dimer represen- tation.

a single fictitious spin. One is then left with the problem

of the ground states of a triangular lattice containing

half the number of spins of the original lattice, and

characterized by interactions (J, J, - J ) ; this problem

in tum reduces to that of the isotropic antiferroma-

gnetic triangular net with interactions (- J, - J,

-

J) by means of a Mattis transform. Result (3.2)

is a trivial consequence of this equivalence.

A few typical ground states limited to a zigzag strip

are shown in figures, 5b, 5c, 5d, where the associated

dimer equivalence has been used. In figure 5d, special

attention has been paid to a spin distribution corres-

ponding to a wave vector n/3 propagating along the zigzag chain of spins connected by J bonds, which

amounts to a wave vector qx = 2 n/3 in the horizontal direction; the reason for this interest is because,

in expression (3.2), the argument of the logarithm

vanishes for 0 = 0, cp = n/3 and, as well known,

the corresponding wave vector will show up if long

range correlations at T = 0 are to be examined, as

turns out in the case of the isotropic antiferroma-

gnetic triangular lattice.

3.2 J2 - 1/2 J.

-

In this case, an ideal ground

state of an isolated horizontal chain is a 22 ) antiphase, with eventual corrections (walls) due to

the choice of boundary conditions and the number of

spins on the chain. According to this choice the num-

ber of ground states may be either equal to 4 (free ends

or suitable cyclic conditions) or of the order of the

length n of the chain. As a consequence, and owing to

the markovian procedure for constructing the ground

states of the complete lattice by piling up successively compatible ground states of adjacent horizontal chains, an upper bound to the number of ground

states of the complete lattice is n"’ where m is the number of horizontal chains. The residual entropy

per spin therefore vanishes, as can be seen directly

From (2.1) when the low temperature limit is examined.

,

In order to avoid having to bother with edge effects

in the following discussion, we assume that, for any

ground state of the system, it is almost sure (in the probabilistic meaning) that any group of four conse- cutive spins on a row will adopt one of the four follow-

ing configurations :

Suppose the first spin on the left of the group is located at the top of a 2 J ‘ bond, in a given row which

will be named row 1; the downward transfer matrix from row 1 to row 2 below is

and the transfer matrix from row 2 to row 3 below is

so that the transfer matrix from row 1 to row 3 is

with the following properties :

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376

As an immediate consequence, the number of distinct ground states nGS for a lattice with m rows

(m even) and cyclic conditions between the first and the mth row is given by

The properties of the transfer matrices Vl, V2

and W show clearly that, starting with a given confi- guration in row 1, all configurations will show up with equal proportions in row 3 and the following

rows (Fig. 6). Therefore the quantity SR SR, ) averaged over ground states, when locations R and R’

do not belong to adjacent rows, is strictly zero.

Fig. 6.

-

J2/J - 1/2 : four possible ground states, with initial

configuration (+ + - -) imposed on the first row.

It is a striking feature of the UBL model that for

J2 - 1/2 J and T = 0, correlations in a row

(where a is the lattice spacing) are given by

so that the correlation length is infinité in the hori- zontal direction, while it is limited to one lattice

spacing in the vertical direction. Thus the UBL model is not ordered at T = 0 if J2 - 1/2 J, whence we

better understand the discrepancies with the uni- axial model to be discussed now.

4. Comparison with the uniaxial model [ 13].

-

From

the point of view of phase transitions, the thermo-

dynamic properties of the UBL model turn out (quite

not surprisingly) to be less rich than those of the

complete uniaxial model. This is due to the lack of

an ordered structure at any temperature, even at

T = 0, for the UBL model, when J2 - 1/2 J.

As far as predictions derived from mean field

techniques are concerned, they become the more

unreliable as the dimension is lower. Figure 8 recalls

the mean field phase diagram of the UBL model;

the fine structure of the modulated phase has not

been specified since the exact results have shown that this is a mock phase. It is worthy of note that the

formalism of solitons and phasons, as described by

Bak and von Boehm, adapted to the case of dimen-

sion d = 2, applies as well to the case of the uniaxial model as to the case of the UBL model ; now at last

the conclusions to which such a formalism could lead in discussing the phase diagram presented by

Selke and Fisher (Fig. 1) should not deserve an

unreserved adherence, taking into consideration its

erroneous prédictions for thé phase diagram of the

UBL model.

As a set-off to these rather negative conclusions,

the UBL model could be used as a good testing stand

in the Monte-Carlo methods, in order to ascertain

that no modulation in the horizontal direction can

be stabilized, at any temperature, by a particular

choice of size or of boundary conditions for the system. Such a preliminary checking, if proving positive, could only give more weight to the results obtained by Monte-Carlo simulations for the complete

uniaxial model (1).

APPENDIX

Partition function of the UBL model.

-

The stan- dard Pfaffian procedure [16] is applied to the lattice

shown in figure 3a, which will be referred to as pri-

mitive (and indexed by P) in this Appendix when

necessary. Although a more direct method can certainly be used if the partition function of the sole UBL model is needed, we found more convenient to

deal with the primitive lattice which has the rectan- gular symmetry, because it leads to several interesting particular cases after specific choices of the interac-

tions, one of them being the UBL model.

The primitive lattice (n rows and m columns,

mn = N), is helically wound on a torus. The unit

cell of interactions (Fig. 7) recurs N/4 times along

(1) This point of view has received an unexpected support from

a preprint of a work to be published by J. Villain, where the author

daims that the Lifshitz point of the two-dimensional ANNNI

model should take place at zero temperature, so that the ferro-

magnetic-sinusoidal transition deduced from computer simulation

should not exist.

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Fig. 7.

-

Unit cell of interactions in the primitive lattice.

the helix ; m and n are chosen so that (m - 2)/4 and n/2 should be integers. The partition function Z’ for

the N spins of the primitive lattice is given by

Fig. 8.

-

Sketch of the mean field phase diagram for the UBL model.

Fig. 9.

-

Structure of the matrix M. (Transposition operation is represented by a bar.)

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378

where D(M) is the anti-symmetric determinant asso-

ciated with the 4 N x 4 N matrix M shown in figure 9 (no confusion should arise from the fact that, for

simplicity, some of the 4 x 4 elementary submatrices defined have been named after the bond which is involved in their unique non-zero element). Q is the antipetmutation matrix with dimension N/4, i.e.

QN/4 = - I (7 is the identity matrix with the same

dimension as Q). Then, as well-known from the usual factorization procedure,

where m runs through all the (N/4)th roots of - 1,

and Li (Mw) is the lb x 16 determinant associated with the matrix Mw defined by

Going to the new variables col/2 = exp(iO),

it is found after some algebra that

Expressions for a, b, c, d, e are found in table I, where notations x = tanh 03B2X, y = tanh 03B2J, z = tanh 03B2J’,

t = tanh pJ 2 have been used.

Retuming to (A. 1), we can now write the partition

function per spin of the primitive lattice :

As X - + oo, the partition function per spin of the

UBL model can now be reached from (A. 6) after

the following successive steps :

1) Let tanh 03B2X = 1 in (A. 5) (in table I, do x = 1).

Notice that doing so, expression e in table 1 vanishes.

Table 1.

-

Detailed expressions for a, b, c, d, e, in (A. 5).

Table Il.

-

Detailed expressions for a, b, c, d, e in (A. 5) when x = 1.

Table Il.

-

Detailed expressions for a, b, c, d, e in (A. 5) when x = 1.

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2) Subtract from the term t ln cosh pX in (A. 6)

the bond energy per spin 2 PX due to the X bonds.

3) Multiply the final result by a factor 2 in order to take into account the fact that if the primitive

model contains N spins, the model obtained after condensation of the X bonds contains N/2 spins.

The previous operations may be summarized by

where z is the partition function per spin of the UBL

model.

The previous procedure, followed by insertion of the remaining hyperbolic cosines into the integral

term in (A. 6) for which the expressions of a, b, c, d, e

when x = 1 listed in table II have been used, yields

In z as given by (2.1) and (2.2).

References [1] WANNIER, G. H., Phys. Rev. 78 (1950) 341.

[2] VILLAIN, J., J. Phys. C : Solid State Phys. 10 (1977) 1717.

[3] ANDRÉ, G., BIDAUX, R., CARTON, J.-P., CONTE, R., DE SEZE, L., J. Physique 40 (1979) 479.

[4] STEPHENSON, J., Can. J. Phys. 48 (1970) 1724.

[5] STEPHENSON, J., Phys. Rev. B 1 (1970) 4405.

[6] STEPHENSON, J., BETTS, D. D., Phys. Rev. B 2 (1970) 2702.

[7] ELLIOTT, J., Phys. Rev. 124 (1961) 346.

[8] FISHER, M. E., SELKE, W., Phys. Rev. Lett. 44 (1980) 1502.

[9] ANDRÉ, G., BIDAUX, R., CARTON, J.-P., CONTE, R., DE SEZE, L.,

J. Appl. Phys. 50 (1979) 7345.

[10] BAK, P., VON BOEHM, J., to be published.

[11] VON BOEHM, J., BAK, P., Phys. Rev. Lett. 42 (1979) 122.

[12] SELKE, W., FISHER, M. E., Phys. Rev. B 20 (1979) 257.

[13] SELKE, W., FISHER, M. E., to be published.

[14] HOUTAPPEL, R. M. F., Physica 16 (1950) 425.

[15] STEPHENSON, J., Can. J. Phys. 47 (1969) 2621.

[16] GREEN, H. S. and HURST, C. A., Order-disorder phenomena,

Monographs in Statistical Physics and Thermodynamics

(Interscience Publishers).

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