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Disclination Asymmetry in Deformable Hexatic Membranes and the Kosterlitz-Thouless Transitions
Jeong-Man Park, T. Lubensky
To cite this version:
Jeong-Man Park, T. Lubensky. Disclination Asymmetry in Deformable Hexatic Membranes and the Kosterlitz-Thouless Transitions. Journal de Physique I, EDP Sciences, 1996, 6 (4), pp.493-502.
�10.1051/jp1:1996226�. �jpa-00247199�
J.
Phys.
I France 6(1996)
493-502 APRIL 1996, PAGE 493Disclination Asymmetry in Deformable Hexatic Membranes and the Kosterlitz-Thouless Transitions
Jeong-Man Park (*)
and T.C.Lubensky
Laboratory
for Research on the Structure ofMatter, University
ofPennsylvania, Philadelphia,
PA 19104, USA
(Received
6 November 1995, received in final form 14 December 1995,accepted
21 December1995)
PACS.05.70.Jk Critical point
phenomena
PACS.68.10.-m Fluid surfaces and fluid-fluid interfaces
PACS.87.22.Bt Membrane and subcellular
physics
and structureAbstract. A dischnation m a hexatic membrane favors the
development
of Gaussian curva- ture localized near ils core. Theresulting global
structure of the membrane has mean curvature, which is disfavoredby
curvature energy. Thus a membrane with an isolated dischnation under- goes a buckling transition from a flan to a buckled store as the ratio~/KA
of thebending rigidity
~ to the hexatic
rigidity
KA is decreased. In this paper we calculate thebuckling
transition and the energy of both apositive
and anegative
disclination. Anegative
dischnation has alarger
energy and a smaller critical value of
~/KA
atbuckling
than does apositive
disclination. Weuse our results to obtain a crude estimate of the Kosterlitz-Thouless transition temperature m a membrane. This estimate is
higher
than the transition temperaturerecently
obtainedby
theauthors in a renormahzation calculation.
1. Introduction
The hexatic
phase
[1] is characterizedby
6-fold orientational but not translational order. Both three-dimensional hexaticphases
with truelong-range
order [2] and two~dimensionalphases
with
power-law
order [3] have been observed. In flat two-dimensional films(under tension),
the transition to theisotropic phase
occurs via a Kosterlitz-Thouless(KT)
disclinationunbinding
transition
[4].
Free membranes with zero surface tension can also exhibit a hexaticphase
anda KT transition to a fluid
phase.
Both the hexaticphase
and the transition to theisotropic phase [5,6]
are,however,
morecomplicated
thanthey
are in a flat film because ofthermally
induced
shape
fluctuations. Recent renormalization group calculations[7,8]
show thatshape
fluctuations shift trie bare hexaticrigidity KA.
As a consequence, an increase in trieamplitude
ofshape
fluctuationsproduced by decreasing
trie membranebending rigidity
~ will induce atransition from trie hexatic
phase
to trieisotropic
fluidphase.
In flat
membranes,
there is a symmetry betweenpositive (5-fold)
andnegative (7-fold)
discli-nations,
andthey
both have the same energy. In free deformablemembranes,
thissymmetry
is broken[9].
If the ratio~/KA
of thebending rigidity
~ to the hexaticrigidity KA
issufliciently (*)
Author forcorrespondence le-mail: jeong©lubensky.physics.upenn.eau)
©
LesÉditions
dePhysique
1996small,
a membrane with asingle
dislcination can lower its energyby buckling, thereby
cre-ating
anonvanishing
Gaussiancurvature,
which screens trie disclinationcharge.
The buckled states ofpositive
andnegative
disclinations bave diiferentheight profiles,
diiferentenergies,
and diiferent critical values of
~/KA
at whichbuckling
occurs. In this paper, we will use a variationalprocedure
to calculate theenergies
of isolatedpositive
andnegative
disclinations on free membranes. Dur variational form for apositive
disclination isessentially
exact. Dur form fornegative
disdinations is exactonly
for~/KA
near the critical value of~/KA
forbuckling.
Corrections near
buckling
are,however,
verysmall,
and we argue that our form is a verygood approximation
until~/KA
becomes very small. Dur results are inagreement
with recent cal- culationsby
Deem and Nelson[loi.
The latterauthors, however,
in addition tocalculating
the energy of anegative
disclinationvariationally
also carry out a numerical minimization of trie full non-linear energy to obtain a lower value for ibis energy at small values of~/KA.
In whatfollows,
we will present our calculations ofpositive
andnegative disclinations, respectively
inSections 2 and 3. In Section
4,
we will discuss our results and an estimate of the KT transition lineproduced by
them.The continuum Hamiltonian for hexatic membranes was derived in reference
iii.
If weparametrize
membranespositions
in terms of a two-dimensionalparameter
li=
(~~,~~)
asR(ù),
then7i "
7i~
+7ic, Ill
~~~~~
7~~
= ~d~itfiH~,
2
~
is the curvature energy and
7ic
"KA / d~itfi(tif Si j(tif Si, (3)
2
is trie Coulomb energy. Alternative form for trie hexatic energy can be found in reference
il lj.
In the
above,
g=
det(gab)
is trie determinant of the metric tensor gab "ôaR: ôôR
tif ,=
27r£~q~ô(ù ù~)/@
is the disclinationdensity
with q~=
+1/6,
and H and S are,respectively,
the mean and Gaussian curvatures of the membrane. We baveignored
a scalar field contribution of7i,
which gives rise to Liouville measure factors[12,13],
which are irrelevant to trie current discussion. On arigid
flatmembrane,
this Hamiltonian reduces to the Coulomb gas form of the XY-model. In the absence ofdischnations,
hexatic order induceslong-range
Coulombic interaction between Gaussian curvatures on the membrane [Si. The Coulomb en- ergy
7ic depends only
on the diiferencetif
S.Thus,
thedevelopment
of Gaussian curvature on a free membrane that approximates the disclinationdentsiy
tif can reduce trie Coulombenergy. Gaussian curvature
usually
leads to mean curvature, and the lowest energy state of a free membrane with a disclination will be determinedby
thecompetition
between the Coulombenergy,
7ic,
whichprefers
S=
tif,
and the curvarure energy,7i~,
whichprefers
zero curvature.If there is a
single
disclination at the origin, one canexpect
that Gaussian curvature will be localized near theorigin.
Gaussian curvature localized in a smallregion
will give rise to abuckled state with mean curvature but zero Gaussian curvature away from the
origin.
2. Positive Disclinations
A minimum
strength positive
disclination bas"charge"
q=
1/6.
To reduce trie Coulomb energy associated with thischarge,
trie membrane can distort into trieshape
of aspherical section,
~vith
nonvanishing
Gaussian curvature, localized to trie core of trie disclination. Outside trieN°4 DISCLINATION ASYMMETRY IN HEXATIC MEMBRANES 495
Fig.
l. Membrane buckled into a cone withh(il)
= mr in the
Monge
gauge where m is theslope.
core region, trie membrane will seek a
shape
with zero Gaussian curvature. A cone withslope
m has zero Gaussian curvature and can be connected
smoothly
to aspherical
section(Fig. i).
Thus,
in trieMonge
gauge, weparametrize
trie membraneshape
outside trie core as ù=
(r,
ç§)and
R(ù)
=
(rcosç§,rsinç§,h(ù))
withh(ù)
= mr.
Thus,
outside the core, thecomponents
of metric tensor and its determinant areÎÎÎ
"
OÎÎ~~~Î
g
=Î~(1 ~Îi~).
~~~The mean curvature H and the Gaussian curvature S are
~ i
)
~2
1'
~ ~ ~~~Thus the
bending
energy of the cone with radius R and the core size a becomes7i«
=~~/d~ufiH~
2
1/~27rrdr ~(
m~
2~a
r~ ~~~fi
~~~
~~Î
~~~
The Gaussian curvature vanishes outside the core
region.
In trie limit of trie infinitesimal size of trie core region, S can be describedby
triepoint
curvaturecharge
s+.S(ù)
=2irS+à(ù Û+)/v@. ii)
Since there is no Gaussian curvature in the cone, we can choose any curve in the cone to calculate s+
using
the Gauss-Bonnet theorem:/Sda
+/ kgdi
= 27r,
(8)
M c
where
kg
is triegeodesic
curvature of trieboundary
curve G of trie surface M[14].
We use trieboundary
curve of the cone:C =
(Rcos#,
Rsin ç§,mR). (9)
The
geodesic
curvature of trieboundary
curve of a cone ofslope
m is(Rfi)~~,
and theGauss-Bonnet theorem becomes
M
~~~ ~Î~~ ~
~~~~~~
Using equation iii,
we obtain1
~~
fi'
~~~~Hence,
the Coulomb energy for apositive
disclination is7ic
"KA / d~ufi(tif Si j (tif Si
2
=
7rKA (~
+)~
27rGc(0), (12)
6
where s+ = 1
-1/Ùfi
andGc (iii
is trie Green's function for trieLaplacian,
V~
=
ôag°flfiôp (13)
@
On a cone,
V~GC là ù')
=
-à(ù ù') /fi. (14)
To determine
Gc,
we assume that it bas trie form -AIn(r/ro)
where ro is alength.
ThenId itfiv~Gc(ù)
=
d~itfiô(ù)/fi=-1
~
Î
=
dsag~~jjôbGc
=
dsrg"A/r
Î Î
=
/dsr(g~~/fi)(A/r), ils)
where
dsa
=
ôarrd9
is the "surface" element of a circleenclosing
theorgin.
Then from equa- tion(4), gw/fi
"
r/fi,
A=
-Ùfil(27r),
andGc (iii
=
§/ In
~ln
~)
,
(16)
7r a a
where we chose ro to be
equal
to the disclination core radius a and we added the constant termIn(Rla),
where R is trie radius of trie cone, toproduce
trierequired divergence
ofGc (fil
at small r. Trie Coulombself-energy
isgiven
in terms of27rGc(0)
=tfiIn(Rla)
where R is trie radius of trie membrane and a is the cote size.The energy of a
positive
disclination with q=
1/6
on the cone with trieslope
m becomes~~~~~ l~~À~
~~~~ ~Î
~ù~~
~~i
~~
Î
~
~~~ Î6
~
IA ÎÎ~ ~°~
~ÎÎB IA ~Î
~~Î
~~~~
This energy is shown in
Figure
2a for various values of~/KA.
For~/KA
> 11/72, E+ (mi
hasN°4 DISCLINATION ASYMMETRY IN HEXATIC MEMBRANES 497
E~(m~ E_( m~
l 2
2
~ 3
4 4
(a) (b)
Fig.
2.a) Energy
ofpositive
dischnations as a function of m~ for different values of p=
~/KAI (1) p/pf
=
4/3, (2) p/pf
= 1,
(3) p/pf
=
3/4,
and(4) p/pf
=
1/2,
wherepf
= 11
/72. b) Energy
of
negative
dischnations as a function of m~ for different values of p =~/KAI (1) p/p/
=
4/3, (2)
p/p/
=1,(3) p/p/
=
3/4,
and(4) p/p/ =1/2,
where pi=13/216.
a minimum at
m~
= 0 and the membrane remains flot. For
~/KA
< 11/72, however, E+(m)
has a minimum at
m~
=
(11 /36 2~/KA)/(25 /36
+~/KA)
and the membrane buckles out to form a cone with theslope
11 2~
~ ~
ÎÎ Î
~~~~
~
Thus the
buckling
transition occurs at~/KA
" 11
/72
forpositive
disclination with q =1/G.
This result for m with
equation (17)
can be found in reference[15]
and [1G]. The energy of apositive
disclination on a membrane of radius R with the short-distance cutoifa is
5
~ 36~ R ~ 11 E3~~~ KA
~ ~25KA
~~a' KA
~72
jig)
~ 1 R
~ 11
ù~~~~~ a'
KA
~72'
WhenKA
- cc, m -+titi
ands+ -
1/6. Thus,
in thislimit,
the disclinationcharge
istotally
screenedby
the Gaussian curvature, there is no Coulomb energy, and the disclinationenergy
E+(KA
"
ccl
=
Ill /30)7r~ In(Rla)
comesentirely
from curvature of the cone. This energy of apositive
disclination is identical to the result obtainedby
Guitter and Kardar [6]using
the conformal gouge.Dur
simple height profile
for apositive
disclination does not break azimuthalsymmetry,
and there is noparticular
reason for thissymmetry
to be broken.Thus,
we believe thath(ù)
= mrprovides
acomplete discription
of the buckled state and oufdescription
of thepositive
disclinations is exact. Inparticular,
nosymmetry breaking
terms such as mircos2ç§
or
m2rcos4ç§
are needed in the expansion ofh(ii).
Orderpararneters
such as mi and m2 arecertainly
not forcedby
thedevelopment
of non-zero m becausesymmetry
does not permitterms linear in mp of the form
m~mp
to appear in theexpansion
ofE+ (mi.
A KT
melting temperatue T+
forpositive
disclinations can be introduced in the usual wayby setting
the free energy of asingle
disclinationequal
to zero;E+ T+S
=
0,
where S =In(Rla)~
is the
entropy.
ThusT+
=
E+/21n(Rla).
Thisproduces
thephase diagram
obtained in reference [6] and shown as the solid curve(ai
inFigure
3. The thin line indicates thebuckling
transitions at
~/KA
= 11
/72,
and the sohd curve the disclinationsunbinding
transtion obtainedfrom
T+.
RK
1.4
(b)
1.2
1 K/K~= 13/216
0.8
0 6
(a)
K/K~= 11/72
0.2
T/K~
O.Ol 0.02 0.03 0.04 0.05
Fig.
3. Estimatedphase diagrams
in the(T/~, TIRA) plane showing
the Kosterlitz-Thouless tran- sition hne obtainedby balancing
energy and entropy ofla)
a
single positive
dischnation(T+
=
E+/21n(Rla))
and(b)
asingle negative
dischnation(T-
=
E-/21n(Rla)) (a)
is identical to the estimate obtained in reference [6]. Thestraight
hnethrough
the ongm m both cases is the buck-ling
transition hne. The energy of a negative disclination isgenerally higher
than that of a positivedisclination,
and T- > T+.T+(KA
"
oc)
=(11 /60)7r~
ci 0.575959~ and T-(KA
"
oc)
ci 1.37941~.Fig.
4. Membrane buckled into a saddle withh(ù)
= mr cos 2# in the
Monge
gauge where m is theslope.
3.
Negative
DisclinationsWe can
similarly
calculate the energy ofnegative
disclinations with q =-1/6.
Since thecorresponding
coreregion
should have anegative
curvaturecharge
to cancel thetopological charge,
weexpect
the coteregion
has a saddleshape.
Thesimplest
saddleshape (Fig. 4)
ish
iii)
= mr cos 2ç§
(20)
We will take this as a vanational function and seek the minimum energy solution for a
negative
disclination with
respect
to variations in the parameter m. We thus obtain an upper bound to the energy of anegative
disclination. Inclusion of additional terms inh(il) proportional
tocos
2nç§
for n aninteger
will lead to lower energies.Indeed,
recent numencal calculationsby
Deem and Nelson
[10] yield
a lower energy than we obtain whenKA/~
» 1. We will argue,N°4 DISCLINATION ASYMMETRY IN HEXATIC MEMBRANES 499
however,
that thissimple
variational form isessentially
exact near thebuckling
transition.The components of the metric tensor and its determinant associated with
h(ii)
= mr
cos2ç§
are
grr = 1 +
m~ cos~
2ç§, goô"
r~ il
+rm~ sin~ 2ç§),
~ gr~ = g~r =
-2rm~
cos 2ç§ sin 2ç§, g=
r~ il
+m~(1
+ 3sin~ 2ç§)).
The mean curvature H and the Gaussian curvature S are
~
~Î
~°~~~
il
+ÎÎÎ~ ÎÎn~Îç§))3/2'
~ ~ ~~~~
The
bending
energy of the saddle withslope
m is7i~
"~tl/d~UjjH~
2~
Î~ Î ~~
~~~ÎÎÎÎ~ÎÎ~Î ÎÎ Î)~~~~
~~°~ ~~
~~ (Î~ÎÎÎÎÎ Î ~IÎ~ÎÎ)ÎÎ~21
~~
Î
~~~~
Again,
in the limit of the infinitesimal size of the coreregion,
S can be descnbedby
thepoint
curvature
charge
s-.S(ù)
=27rs-à(ù
ù-/fi. (24)
The
integrated geodesic
curvaturealong
theboundary
G=
(R
cos ç§, R sin ç§, mRcos 2ç§) is/c
~~~~Î~~ Il
+ m2 cos2
Î)~/ÎÎ~Î~Îm2
sin~ 2ç§)3/2
~~~~Thus the Gauss-Bonnet theorem
gives
~~
7r ~~
Il
+ m2 cos2ÎÎÎ/ÎÎ~ÎÎm2 sin~
2ç§)3/~
' ~~~~and the Coulomb
self-energy
ofnegative
disclination on the saddle becomes7ic
")KA / d~i~ôlfif SI (2 lfif SI
=
7rKA
+ s-~
27rG~
(0), (27)
where s- is given
by equation (26)
and G~(fil
is the Green's function for theLaplacian V~
onthe saddle. We can determine G~
(fil following exactly
the sameprocedure
we used to determineGc(ù)
for apositive
disclination. We findGsilii
=
-Ainirlai lniRlail 1281
where
~
~Î ~~
il
+Î~ÎÎÎÎ~Î~~Î)]1/2
~
7r ~
~~~
~~~~~
~ ~~~~Equations (23), (27), (28),
and(29) completely
determine the energy of anegative
discliantionas a function of m within the
approximation h(11)
=mrcos2ç§.
We con locate thebuckling instability
and determine mjust
above itby expanding
E-(mi
in powers of m up to orderm~.
The result is
~~~~°~ ~~~ Î6
~
jÎA
ÎÎ6~ ~°~
~~ÎÎÎÎ ÎÎjÎA~ ~Î
~~Î'
~~~~
This energy is shown in
Figure
2b for various values of~/KA.
For~/KA
>13/216,
E-(mi
has a minimum at
m~
=
0;
for~/KA
<13/216,
E-(mi
has a minimum atm~
=
((13/216)
~/KA)/((2743/10368) (23/4) ~/KA).
Thebuckling
transition occurs at~ 13
1 216' (31)
and the
slope
for~/KA
< 13/216
is~° ~
27431111111~ (iÎÎ~
~/KA
~~~~The energy of
negative
disclination around~/KA
" 13
/216
in a membrane of radius R withthe short-distance cutoif a is
16~~ ~ (211111111)
ÎÎÎÎÎÎÎÎÎ~A))
~~Î'
iA
~~~~~~~
E-
=
(33)
iKA
In~, Ù
>
13/216.
36 a
KA
As in the case of
positive disclinations,
the Gaussian curvature willadjust
toexactly
can-cel the
topological charge
whenKA
" cc,leaving only
curvature energy.Setting s-(m)
inequation (26) equal
to-1/6,
we obtainm~(KA
"
ccl
= 0.350417
(34)
and
E-(KA
"
ccl
= 2.75883~ln ~
(35)
E-
(mi
can be minimizednumencally
for 0 <~/KA
< 13/216.
The results aredisplayed
as atransition temperature in
Figure
3(see below).
As discussed in the
introduction,
theheight profile
of anegative
disclination breaks az- imuthalsymmetry,
and weexpect h(ii)
to have a Fourier series expansion of the formh(ii)
=
r
£~
m~ cos2n9. Durapproximation keeps only
the first term in this serres. Near the tran-sition, higher
order terms con be calculatedby expanding
E- in a powers series in all of them~'s.
We hâvealready
calculated the contribution from the dominant term mi % m. Onemight expect
that the next mostimportant
term would be m2. This parameter is not,however,
forced todevelop
a nonzero value when m is nonzero because E- is invariant under h --h,
1-e-, under m~ - -mn for every n.Thus,
there is a contribution to E- of the forma2m]
butno term
proportional
tom~m2,
which would force a nonzero m2. Thus m2 will remain zero until the coefficient a2changes sign.
The absence of anm~m2
term means that our expressions for E-[Eq. (33)]
and m[Eq. (32)]
are exact to order[(~/KA) (13/216)]~
because thereN°4 DISCLINATION ASYMMETRY IN HEXATIC MEMBRANES soi
RK
0.8
' ' ,'
,' ,' ,' ,'
TM~
Ô.Ol 0.02 0.03 0.04 0.05
Fig.
5. Phasediagram
m(T/~, TIRA) plane.
The fuit fine is the KT transition fine obtained from the RG calculation of references [7] and [8]. The dashed fine is the estimate of the KT transition finefrom the average
(T+
+T-)/2
of thepositive
andnegative melting
temperaturesT+
and T-. Theapproximations
used in references [7] and [8]apply
below the dotted fine. The RG transition fine(fuit fine)
obtained in references [7] and [8] lies below thesimple
estimate(dashed fine)
m theregion (below
the dotted
fine)
where the RG calculationapplies.
This isexpected
since the RG calculation includes contributions to the froc energyarising
from thermal membrane fluctuations which thesimple
estimate(T+
+T-) /2
does not include.is no correction to the
m~
termarising
fromcouplings
to m2. The third order term m3 isproportional
tom~
because inversion symmetrypermit
a termproportional
tom3m3.
Moregenerally,
there arecouplings
of the formm~P+~m2p+1
for p=
1, 2,...
Thus theheight profile
can be
expanded
ash(r, 9)
= r
£~~~ m2p+1cos[2(2p
+1)9].
Dur results for E- and m agree with those obtainedanalytically
andnumerically by
Deem and Nelson[10].
Their numerical result for~/KA
= 0 is lower than our
indicating
that the orderparameters
m2p+1 for p > 1are
important
in this limit.A KT transition
temperature
fornegative
discliantion can be introducedjust
as forpositive
disclinations: T-
=
E-/21n(Rla).
This curve is shown as the solid curve(b)
inFigure
3.4. Discussion
Clearly
bothpositive
andnegative
disclinations will bethermally excited,
and neitherT+
norT- is a
good
estimate of the actualmelting temperature, TM.
A better estimate is thatTM
is
simply
the average(T+
+T-)/2.
Thisyields
the dashed curve inFigure
5. This estimate describesqualitatively
features that are inagreement
withsimple physical reasoning:
forlarge
~, there should be a disclination-mediated
melting
to the disorderedphase
astemperature
isincreased,
and at fixedKA,
there should be a transition to thecrumpled phase
as ~ is decreased.In references
iii
and[8],
we calculated themelting temperature
using the renormahzation group(RG)
recursion relations for the KT transition on afluctuating
membranesubject
tothe constraint of
charge neutrahty.
The result shown as the solid curve inFigure
5 is belowthe estimate
(T+
+T-1/2
in the entire region below the dotted curve where we believe thatour RG calculations are vahd. This is
entirely
reasonable. The estimate ofTM
obtainedby
equating
the energy of disclinations totemperature
times theirentropy completely ignores
theentropy
associated withheight fluctuations,
which should lead to adepression
ofTM.
Dur RG calculations includeheight fluctuations,
whosemajor
eifect is to decrease the effectivelong-wavelength
dielectric constant.Acknowledgments
We are
grateful
to David Nelson forbringing
to our attention theasymmetry
inpositive
andnegative
disclinationenergies
and to Michael Deem and David Nelson forsending
us theirindependent
work on thissubject prior
topublication.
This work wassupported
in partby
the National Science Foundation undergrant
No. DMR94-23114 and inpart by
the PennLaboratory
for Research on the Structure of Matter under NSFgrant
No. DMR91-20GG8.J-M-P- would like to grue a
special
thanks to Prof. M.L. Klein for his kindness.References
[1]
Halperin
B-I- and NelsonD.R., Phys.
Reu. Lett. 41(1978) 121; Phys.
Reu. Lett. E 41(1978) 519;
Nelson D-R- andHalperin B-I-, Phys.
Reu. 819(1979)
2457.[2]
Birgeneau
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