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Analysis of high temperature series of the spin S Ising model on the body-centred cubic lattice
J. Zinn-Justin
To cite this version:
J. Zinn-Justin. Analysis of high temperature series of the spin S Ising model on the body-centred cubic lattice. Journal de Physique, 1981, 42 (6), pp.783-792. �10.1051/jphys:01981004206078300�.
�jpa-00209064�
783
Analysis of high temperature series of the spin S Ising model
on
the body-centred cubic lattice
J. Zinn-Justin
Division de la Physique, Service de Physique Théorique, CEN Saclay, B.P. n° 2, 91190 Gif sur Yvette, France (Reçu le 29 octobre 1980, révisé le 6 fevrier 1981, accepté le 19 fevrier 1981)
Résumé. 2014 Nickel a calculé récemment les développements à haute température de la susceptibilité magnétique,
et de la longueur de corrélation du modèle d’Ising de spin arbitraire, jusqu’à l’ordre 21. Nous avons analysé ces développements par une variante de la méthode des rapports. Nos résultats sont en très bon accord avec ceux de
Nickel, et montrent qu’il n’y a plus de différence significative entre les valeurs des exposants 03B3 et 03BD obtenus à partir
du groupe de renormalisation et des séries de haute température.
Nous croyons que ces nouveaux résultats jettent un doute sur des résultats basés sur des séries plus courtes et
concluant à la violation de 1’ hyperscaling >>.
Abstract. 2014 Nickel has generated 21 term series for the susceptibility and the correlation length on the B.C.C.
lattice, for various values of the spin. We analyse them here using a variant of the ratio method. Our results fully support Nickel’s conclusions i.e. that is no apparent disagreement any longer for the exponents 03B3 and 03BD between
the renormalization group and high temperature series estimates.
We believe that these results shed serious doubts about any claim, based on shorter series, of evidence for hyper- scaling violations.
J. Physique 42 (1981) 783-792 JUIN 1981,
Classification Physics Abstracts
64.60
1. Introduction. - In a recent article [1], we empha-
sized the fact that an
analysis
of thehigh
temperature (H.T.) series for thesusceptibility
exponent y of the 3DIsing
model,using
unbiased ratio methods,yields
values of y ( ~
1.245) systematically
smaller than 1.250,and not too different from the renormalization group
(R.G.)
value 1.241. In addition, for the three F.C.C.,B.C.C. and S.C. lattices the last estimates were all
decreasing
with the order. Concernedmainly by
thetoo
high
value ofprevious
estimates, weonly
under-estimated
by
about a factor two, thepossible
decreaseof the estimates at
higher
orders,by uncritically accepting
thepoint
of view that theamplitude
of theconfluent
singularities
was very small forspin 1/2.
Also we noted that
although
the series gave estimates for the correlationlength
exponent v (0.638) which werelarge compared
to the R.G. value (0.630), the serieswere rather short, and the apparent convergence was
surprisingly
fastcompared
to other series at the sameorder. This
discrepancy
was of course the mostannoying
since it lead to a violation of thehyperscaling
relation between the exponents a and v :
At the 1980
Cargese
summer institute Nickel[2]
presented
new series calculations, which add manyterms to the
susceptibility
and correlationlength
series of the
spin
S B.C.C. lattice. He has made apreli- minary analysis
of these seriesusing Dlog
Pad6approximants
andintegral approximants.
His latestestimates are :
and thus in remarkable agreement with R.G. values
[3].
We have
analysed
the same seriesusing
ratio methods similar to those discussed in reference[1].
Our
analysis
supportscompletely,
up to minor details, the results of Nickel.As a consequence we believe that the main discre-
pancies
between R.G. and H.T. series estimates havenow been removed and that series
analysis
nolonger provides
any reason to suspect the theoretical argu-ments [4, 5] which lead to the identification of the
Ising
model with the continuous S4 fieldtheory
in thev critical domain.
A last
point
is worthmentioning.
A crucial role isplayed
in the wholeanalysis by
the existence of series of the samelength
for various values of thespin.
If we accept the idea that all series should
yield
thesame value of the
corresponding
exponent, we areArticle published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphys:01981004206078300
forced to admit the existence of confluent
singularities
with
amplitudes depending
on thespin.
Inparticular
there seems to exist a value of the
spin
between 1 and 2, for which theamplitude
of theleading
confluentsingu- larity
vanishes, and from which it is easiest to calculate the exponents.Let us remind the reader that there exists a natural
family
ofspin
distributions first introducedby
D. J.Wallace to
study
such effects. One starts from a fixedspin
distribution for anelementary spin,
and one thenconsiders the
spin
at each site to be the sum of 1 inde-pendent elementary spins.
For instance if the ele- mentaryspin
takes ± 1 values, then thespin
has thedistribution
I
It can be shown
[5]
that, if one chooses thetwo-spin
interaction
proportional
to 1, then a1/1
power seriesexpansion
is asystematic expansion
around mean-field
theory.
Thisexpansion
is a closeanalogue
on thelattice of the
perturbative expansion
of the continuous fieldtheory.
Inparticular
one can find ingeneral
avalue 1 * of l, calculable for instance in an
e-expansion,
for which the
amplitude
of theleading
confluentsingularity
vanishes. We believe that it would be useful to make calculations with suchspin
distributions.An outline of our article is the
following,
in section 2we
explain
the variant of the ratio method we have used. Section 3 contains a discussion of our numerical results. In section 4 we make someconcluding
remarks.2. The method. - 2. 1 SOME REMARKS ABOUT SERIES ANALYSIS. - A few simple observations can be made
concerning
the analysis made on series to findthe nature of the
singularity
of a function on the circleof convergence of the series, from the
knowledge
of a finite number of terms.First
(of
course) noanalysis
ispossible
without some.
assumptions.
Often the use of aparticular
methodimplies
some hiddenassumptions
which it isimportant
to understand. Certainly, incorrect
assumptions
willeventually
manifest themselves in the form of poor convergence, but one may need verylong
series to seesuch an effect.
Conversely, good
apparent convergence with short series may sometimes bedeceptive.
Indeedby systematically trying
many methods, one islikely
to find one for which the apparent convergence is very
good.
If one has no a priori reasons toprefer
sucha method, one has to be very careful.
Generally by trying
more methods, onemight
find another onewith the same apparent convergence rate but with a
different limit.
We make these obvious remarks
only
toemphasize
that one should try many methods, to eliminate biases
specific
to each of them, and accidentalgood
apparentconvergence.
Let us now discuss more
specifically
theproblem
of interest here. We shall be faced with
essentially
twokinds of difficulties.
(i)
The function
has othersingularities.
This effect is very
important
for short series. Indeed forlonger
series, the influence of anysingularity
noton the circle of convergence dies
exponentially
withthe order.
Singularities
on the circle of convergence may make anyanalysis
very difficult.Fortunately
weshall have to consider
only
theproblem
of the anti-ferromagnetic
(A.F.)singularity
which can be dealtwith.
(ii)
Thefunction
hasconfluent singularities.
This effect is very difficult to detect in short series.
, For
longer
series it becomes the dominant one. But it isonly
easy to deal with it if the series islong enough,
so that the influence of other
singularities
has becomenegligible.
This suggests the
following
strategy. For short series one should usesimple approximations
of the type ofDlog
Pad6approximants
toanalyse
power lawsingularities,
since suchapproximations
take care ofother
possible singularities
of the function. Forlonger
series many other methods become
competitive
andeven better in the case of confluent
singularities.
Inparticular
one can use various forms of the ratio method as we shall do in the present article. Since weexpect the confluent
singularities
to consist in a sumof powers, other methods seem
although
very useful,like the Pad6 Mellin method as introduced
by
Bakerand Hunter
[6].
Actually
many of these methods,including
thePad6 Dlog and Pad6 Mellin method, are
particular examples
of a moregeneral
method sometimes calledintegral approximants (although
the name differentialapproximants
would seem moreappropriate),
sug-gested
firstby
Joyce and Guttman[7].
One writes for the functionf(z)
of interest a linear differential equa- tion withpolynomial
coefficients :The coefficients
Pn(z)
are determined from the Taylorseries coefficients of
f(z) by demanding
that equa- tion (1) be satisfied up to a maximal order in theexpansion
variable.In the case of a function
having
a confluentsingu- larity
at apoint
zc, one further chooses thepolyno-
mials
Pn(z)
of the form :Nickel
[2]
has studied the case n = 2. The Pad6 Mellin methodcorresponds
to the case in which all thepolynomials
are chosen to be constant.A naturel
generalization
of the Pad6 Mellin method,adapted
to the case in which a weak anti-ferroma-gnetic singularity
is present at z = - zc would seem to be :785
2.2 THE RATIO METHOD. - 2.2. 1 The basic idea. - We shall now describe the variant of the ratio method
we have used here. With respect to the method dis- cussed in reference [1], we have introduced a few modifications allowed
by
the increasedlength
of theseries. We shall
always
limit ourselves to unbiasedestimates, since the biased estimates are
extremely
sensitive to the assumed value of the critical tempe-
rature.
We shall be concerned
mainly
with two functions,the
magnetic susceptibility ~(K ),
and the square ofthe correlation
length 03BE2(K ),
whichyield
the twoexponents y and 2 v
respectively.
We shall take theexample
of ~(K ) :00
~(K) = E Xn Kn . (3)
n=0
We know that for n
large,
Xn behaves like :Therefore :
and we can obtain an estimate yn for y from the
expression :
Actually
the B.C.C. latticesusceptibility
has anA.F.
singularity
at -Kc.
Therefore we shallseparately analyse
the odd and even terms. For instance we shalldefine :
But, and this is a modification with respect to reference [1], we shall average two consecutive a,,’s before
calculating
03B3n :Let us examine what is the effect, at
leading
order,of this
averaging procedure. Taking
into account theA.F.
singularity
we can write[8]
For an this
yields
a correction termproportional
to ( - 1)n
n1 +03B1-03B3,
so that theaverage an
has a correc-tion
proportional
to (1 + a -y)
nY - x.Since in three dimensions we expect :
we see that the correction is then not
only
smallerby
a factor
1/n,
but has a smaller coefficient. Since ourextrapolation
methodamplifies
thecorresponding
oscillations, thisoperation
is very useful.Finally
we calculate 03B3nby :
At the same time we can get an estimate of the critical temperature
Kc-1 by :
It should be noted that these
extrapolation
formulaeare reasonable
only
aslong
as(y -
1) is not toobig.
Otherwise
they
have to be modified to avoid thegeneration
of toolarge higher
order corrections.2. 2. 2
Confluent singularities.
-Eventually
weshall be interested in
testing
the idea that the seriesare affected
by
the existence of a confluentsingularity,
with an exponent y - A1, The value
of 4 1 is predicted by
the R.G. [3] :This means that xn should have the form :
Since we shall be forced to make a more refined
extrapolation
to deal with this correction term, we need to decrease even further the influence of the A.F.singularity.
Therefore we shall average three conse-cutive terms :
Then we define :
This
operation
eliminatescompletely
the n- A1correction term.
We get then a new estimate for y
by :
If d 1 is not too different from 0.5, as
predicted by
the R.G., then the correction term proportional to n- 2° 1 will be almost
completely
eliminatedtogether
with the
regular lln
correction, so that 03B3n should differ from yby
terms of order n-3d1 close to n - 1. 5.2.2.3 Direct determination
of
the exponentof
the leadingconfluent singularity.
- Thesimplest
methodconsists in
calculating
first the ratio between the terms of two serieshaving
the same behaviour :Taking
the ratios of the terms of the two series weget :
Calculating
thequantity bm
we find :The
quantity 6n
isnothing
but the discrete secondlogarithmic
derivative of an.We can then take
again
alogarithmic
derivative :and then
finally
obtain an estimate(d 1)n
ford 1 :
Of course we have also to deal with the A.F.
singu- larity
here, so that we shall consideragain
the odd andeven terms
separately,
and average thecn’s.
An alternative method is to take the ratio :
By
doing
this we eliminate the critical temperature,so that we can take one ratio less.
2.2.4 The exponent
of
the A.F.singularity.
-As we have
already
mentioned the B.C.C. lattice series have at K = - Kc asingularity
of the form :which
yield
a correction to xn of the form :It is therefore
possible
to estimate the combinationa - y from the series, with
probably
the same kind ofaccuracy as in the case of d 1.
We have
proceeded
in thefollowing
way. We have firstcalculated an :
Then the
quantity bn :
Since we expect :
we see that now the A.F.
singularity gives
theleading
contribution. From now on we
proceed
in the sameway as for
A1,
afterequation (17).
Needless to say, we have tried these different methods on
specific examples
constructed to imitate the B.C.C. lattice series in some of theirproperties.
2. 2. 5 The exponent r¡. - To check in some respect the correlations between y and v we have also ana-
lysed
the ratio :The method is
quite
similar to the method used to calculated 1 and
y - a.Having
calculated an estimate(~v)n for ~v,
we havedivided it
by
thecorresponding
estimate for v at thesame order, and obtained a series of estimates for q.
3. Results. - 3. 1 THE SQUARE LATTICE. - Nickel has also generated long series (up to order 34) for the
square lattice.
Although
almost any method seems to work well for thespin 1/2
square lattice, neverthe-less we have used it to test some aspects of our methods.
Of course we cannot try the forms constructed to deal with a confluent
singularity
since it is absent in thiscase. On the other hand we can see the effect of the modifications introduced to eliminate more systema-
tically
the A.F.singularity (Eq. (8)).
Table Igives
ourresults for y and v, and the inverse critical
coupling
constant
Vc-1
in the variable :V
= tanh (K )
as
given by
the seriesx(v) and ç 2( v).
In table II we show the results for the combination y - a
coming
from the A.F.singularity,
and for n asexplained
in section 2.2.4 and 2.2.5.It appears from these tables that the convergence towards y is somewhat better that one would
normally
expect, at least up to order 26,27.3.2 THE B.C.C. LATTICE. - We have then
applied
the method described in section 2 ? . 1 to the series
expansions
of x(K ) and03BE2(K)
on the B.C.C. lattice,787
Table I. - Estimates
for
theexponents
y and v, and the criticalcoupling
constant Y,,,,of
the spin1/2
Isingmodel on the square lattice. The exact values are :
Table II. - Estimates for y - a and 11 f6r the spin 1/2 Ising model on the square lattice. The exact values are :
for four values of the
spin
S i.e.1/2,
1, 2 and oo. Forcomparison
we have also made the same calculation for thespin 1/2
F.C.C.[9]
and S.C.[10]
lattices.Tables III and IV
give
the results for the exponents y and vrespectively.
One sees that the estimatesgiven by
the differentspins slowly
become closer withincreasing
order. At order 21, the difference for y between thespin 1/2
andspin
oo is about 10-2. Wehave also
plotted against lln (n being
theorder)
theestimates for y and v in
figures
1 and 2.Although
allseries show oscillations due other distant
singularities,
the effect of these
singularities
seems to be somewhat stronger for thespin 1/2.
Nevertheless,apparently
Table III. - Estimates
for
the exponent yfor
4 valuesof the
spin on the B.C.C. lattice, nottaking
into accountthe
possibility of a confluent singularity.
Table IV. - Estimates for the exponent v
for
4 values of the spin, not taking into account thepossibility of
a confluentsingularity.
Fig. 1. - The exponent y for various spins and lattices, without taking into account the possibility of a confluent singularity.
Fig. 2. - The exponent v for different values of the spin on the
B.C.C. lattice, without taking into account the possibility of a
confluent singularity.
after order 12, a
general
trend dominates the oscil- lations,suggesting
that we are nowfinally approaching
the
asymptotic regime.
If we now assume that the
limiting
value is the samefor all
spins,
and in addition that we are indeed nowseeing
theasymptotic regime,
then we are forced toconclude
that
all series are affectedby
the presence ofa correction term with an exponent
significantly
smaller than 1, due to some confluent
singularity.
In addition it seems that the
amplitude
of thissingu- larity
islargest
for S =1/2,
and vanishes for a value of S between 1 and 2.Evidence for such a confluent
singularity
hadalready
beengiven,
of course[11]
from shorter series.But we believe that in these shorter series the influence of other
singularities
was still very strong, so that the evaluation of theamplitude
of the confluentsingu- larity
in agiven
series was somewhat unreliable.This would
explain
the main difference between the former analyses, and the analysispresented
here or by Nickel, i.e. the fact that theamplitude
of the confluentsingularity
seems to vanish for a value of thespin
between 1 and 2, rather than for the
spin 1/2.
On
figures
1 and 2 we have added forcomparison
the results obtained for the
spin 1/2
F.C.C. and S.C.lattices. One sees that the results for the F.C.C. lattice
are
comparable
to those of B.C.C. lattice at the sameorder. This is
actually
also true for other values of thespin
both for y and v. As usual, the results for the S.C.lattice are somewhat
higher
and seem to be affectedstrongly by
other more distantsingularities.
It wouldprobably
be useful,specially
in the case of the F.C.C.lattice, to calculate with
higher
values of thespin,
or other
spin
distributions, toimprove
the conver-Table V. - Values
of
the critical temperatureKc-1
for
4 valuesof the spin on the
B.C.C. lattice, as derivedfrom
thex(K)
and03BE2(K)
series.789
gence
by decreasing
theamplitude
of theleading
confluent
singularity.
In table V we
give
estimates for the value of the critical temperatureKc- 1
for variousspins,
as derivedfrom the series
expansions
of~(K )
and03BE2(K).
If weassume that the
leading
correction to(Kc- 1)n
is pro-portional
to n-1.5 aspredicted by
the R.G.(an
assump-tion consistent with the
comparison
between the resultscoming
from~(K )
and03BE2(K)),
we get some estimates forKc- 1 :
which are in excellent agreement with the values pro-
posed by
Nickel :Only
thequoted
apparent errors are somewhat different.We wish to stress here
again
thedanger
ofmaking
biased estimates of the exponents
using
estimatesof the critical temperature
[12].
If we use the formulae of reference[1]
forexample :
We can derive an estimate for the variation
b y
of y inducedby
a variation03B4Kc
ofK, :
If in addition we have to cancel the correction
coming
from a confluentsingularity
with an exponent d 1, the relation becomes :If d 1 is close to 0.5, this
yields :
For
example
a relative variation of 10- 5of Kc yields
at order 20 a variation of 1.2 x 10- 3 of y.
3.3 DETERMINATION OF THE EXPONENT 4 1 OF THE
LEADING CONFLUENT SINGULARITY. - We give in
table VI the estimates we obtain for the exponent d I
with the method
exposed
in section 2.2. 3applied
tothe ratios of the coefficients first of the
magnetic susceptibility
and second of the correlationlength
ofthe
spin
oo and thespin
1.Examining
in addition the estimatescoming
fromall other series we conclude :
All estimates
coming
fromsusceptibility
and corre-lation
length
series lie after order 15 in this range.The situation is even better if one eliminates the
spin 1/2.
The convergence of the estimates obtained from the ratio of thesusceptibility
and correlationlength
series
(Eq. (20))
seems poorer. Still, after order 15,among 30 estimates,
only
3 areslightly
outside this interval. So we believe that the apparent error we quote here is not unreasonable.Our estimate is in
complete
agreement with pre- vious estimates of Saul et al.[11], Camp et
al.[11]
andRehr
[7].
On the other hand it differs from the estimate of Bessis et al.[6]
which used the Pad6 Mellin method and
analysed only
thespin 1/2
series. However, we believe that thequoted
error islargely
underestimated for variousreasons :
First the authors had to
rely
onprevious
estimatesof the critical temperature.
Second
they
found a very smallamplitude
for theconfluent
singularity
so that its determination couldobviously
not be very accurate. Apreliminary analysis
of the
spin
S B.C.C. seriesby
Moussa[13] using
thesame Pad6 Mellin method seem to confirm this
point
of view.
Finally they
had to exclude the F.C.C. lattice from theiranalysis.
Table VI. - Values
of
A 1 as obtainedfrom
the comparisonof
thesusceptibility
and correlationlength
seriesfor
spin 1 and spin oo.Note that in contrast Saul et al. [11] and
Camp
et a1.
[11] analysed
seriescorresponding
tohigher spins.
For the ratio of
amplitudes
we obtain :These results are
completely
consistent with pre- vious estimatescoming
from R.G. and H.T. series.Table VII shows a
comparison
of values of the ratioof
amplitudes
obtained from H.T. series[14],
calcu-lations based on the
E-expansion [15]
and R.G. cal- culations in three dimensions[16].
Table VII. - Values
for
theamplitude
ratioA41A, of
the
leading confluent singularity from
various methods.s-expansion
H.T. series[14]
[13] R.G.[15]
Our result0.65 0.70 + 0.03 0.65 + 0.05 0.71 + 0.07
3.4 THE EXPONENTS AFTER ELIMINATION OF THE LEADING CONFLUENT SINGULARITY. - We now use
the method described in section 2.2.2 to eliminate corrections
coming
from theleading
confluent sin-gularity.
We have allowed the parameter A 1 to vary in alarge
range :0.35dl 0.65
and calculated y, v and ~.
Tables VIII, IX show our results for y and v for
A1
= 0.5.They
have beenplotted against lln
infigures
3 and 4.Fig. 3. - The exponent y after elimination of the leading confluent singularity, assuming d = 0.50.
Table VIII. - The exponent y
after
eliminationof
the leadingconfluent singularity,
assuming 41 = 0.50.Table IX. - The exponent v
after
eliminationof
theleading confluent singularity,
assuming 41 = 0.50.One sees
immediately
that the difference betweenthe last estimates of order 21
given by
the variousspins
has been reduced
by
about a factor 3, whichjustifies
a posteriori our
assumptions. By varying
A 1 it ispossible
to arrive to situations in which the final valuesare even closer.
For instance for
A 1
= 0.35 one finds for y :On the other hand for A1 = 0.45 one finds for v :
This does not mean that these values of A, should
be
regarded
as new estimates for the exponent. Rather these are effective values which cancel notonly
thedifference between the various
spins
due to theleading
confluent correction, but also the effects of other