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Submitted on 1 Jan 1990
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Topology of the phase in aperiodic crystals
Maurice Kléman
To cite this version:
Topology
of
the
phase
in
aperiodic crystals
Maurice KlémanLaboratoire de
Physique
des Solides(*),
Bât. 510, Université de Paris-Sud, 91405Orsay
Cedex,France
(Received
2 March 1990,accepted
infinal form
1 S June1990)
Résumé. 2014 Les
degrés
de liberté relatifs à laphase
des cristauxapériodiques
sont loin d’êtrecompris.
Dans cet article, nous étudions engrand
détail lespropriétés
géométriques
ettopologiques
del’espace représentatif
de laphase
pour dessymétries quasicristallines
usuelles(icosaédrique
etpentagonale)
et pour les cas d = 3,d~ =
1 et d = 4,d~ =
2. On montre quel’espace
de laphase
a pour revêtement universel un cristald’espace
courbe de courburegaussienne négative ;
le groupe fondamental del’espace
de laphase
est un sous-groupe du grouped’automorphismes
de ce cristal courbe. Nous le calculons danschaque
casenvisagé.
Les résultatsne
dépendent
en aucune manière du choix et de la « surfaceatomique
»(le motif) qui
décore la cellule de base du cristalhypercubique
d’où lequasicristal
estengendré.
Enconséquence,
ils nedépendent
pas nonplus
du fait que lesphasons
sont continus ou discrets. Ces recherches constituent unpremier
pas nécessaire dans l’étude de la naturegéométrique
ettopologique
des déformations du type «phason
». On discute en outre la nature del’homomorphisme
entrel’espace
de laphase
et le groupequi
classe les dislocations. Finalement nousindiquons
sans entrer dans les détails que le groupe fondamental del’espace
de laphase
classe les défautstopologiques
du typephason.
Abstract. 2014 The
phase degrees
of freedom ofaperiodic crystals (quasicrystals)
are far frombeing
understood. In this paper we
study
in great detail thegeometrical
andtopological properties
of the« phase
space » ofquasicrystals,
for usualquasicrystalline symmetries (icosahedral
andpentagonal cases)
and for the cases d = 3,d~ = 1
and d = 4,d~ =
2. It is shown that the universalcovering
of thephase
space is a curvedcrystal
ofnegative
Gaussian curvature, whose group ofautomorphisms
contains therefore the fundamental group of thephase
space as asubgroup.
Thisfundamental group is calculated in each case. The results do not
depend
in any way on the choiceof the « atomic surface »
(the motif)
which decorates thehypercubic
cell of thehigh-dimensional
crystal
from which thequasicrystal
isgenerated.
As a consequence, it does notdepend
on the factwhether the
phasons
are continuous or not. Theseinvestigations
constitute aprerequisite
for anyfurther
study
of thetopological
andgeometrical
nature ofphason
strains. Moreover, thehomomorphism
between the fundamental group of thephase
space and the group which classifies the dislocations is discussed. It is indicated, as apreliminary
result of a research in progress, thatthe fundamental group of the
phase
space classifies thetopological
phasons.
Classification
Physics
Abstracts 61.42 - 61.701. Introduction.
The
crystallographic description
of anaperiodic crystal (quasicrystal)
makes use of ad-dimensional Euclidean
crystal
Zd
cEd (Ed :
d-dimensional Euclideanspace),
in which adl -dimensional
planar
cutPII
isperformed.
This cut has some irrational orientation withrespect
to the lattice. A restricted set of vertices ofZd
isprojected
onPli ; they
constitute thequasicrystal
inquestion. Pli
is indeedthought
of as thephysical
space,with dll
= 3 ordl
= 2according
to the case. Thehyperlattice
is ahypercubic
lattice,
with d =6,
dll
= 3(resp. d
=5,
dll
=2)
for the icosahedralcrystal (resp.
thepentagonal
crystal).
Pjj
is asubspace
ofEd which
isglobally
invariant under the icosahedral group, which is asubgroup
of thehyperoctahedral
group in d = 6(resp.
thepentagonal
group, which is asubgroup
of thehyperoctahedral
group in d =5).
For moredetail,
see references[1-3].
The
quasicrystal
which is obtainedby
the above processdepends
of course on the restrictedset of vertices of
Zd
which is selected. A most usual choice is to select the vertices whichbelong
to a d-dimensionalstrip parallel
toPli
and whose breadth spans a unit cell of thehigh
dimensional
crystal
as infigure
1. A moregeneral
constructionemploys
the device of theso-called « atomic surface » S. This is a
dl = d - d
dimensional manifold made ofequal pieces
(motifs)
attached to all theequivalent
vertices of thehyperlattice [4].
S is therefore invariantby
the translations of thehyperlattice
and has aglobal icosahedral
symmetry
(resp.
pentagonal symmetry).
Thequasicrystal
is the set of the zero dimensional intersections of themotifs and of
Pli.
Note that the two methods areequivalent
if the motif is a copy ofPi,
theorthogonal complement
ofPli
inEd
(Ed
=pl,
xP J.. ).
Fig.
1. - The case d = 2,d.L
= 1 which illustrates the construction of thestrip
of selected vertices.Whatever the method
used,
the structure of thequasicrystal depends globally
on the exactposition
ofP)j,
which can be movedparallel
to itself inEd.
The relatedchange
of structure will be referred to as aglobal phase shift (GPS),
and iseasily analyzable
as a sum ofindependent
localized
phase
shifts(LPS),
also calledphasons,
when thedisplacement
ofPli
is small.The
physical
natureof phasons (an example
isgiven
inFig.
2 forthe dp
= 2case)
is far frombeing
understood,
but it isby
all means clear thatthey play
animportant
role in the structuralFig.
2. -Localized
phase
shifts.They
arecertainly
akin to the discommensurations of incommensurate structures and tostacking
faults. It is also of fundamental interest to know whether thephasons
are continuous or discontinuous. All models constructed up to now forperfect quasicrystals figure
out thephasons
as discontinuous(as
inFig. 2),
which means that the atoms of thequasicrystal
may suffer somejump
whenPp
iscontinuously
moved inEd.
But Levitov hasrecently
shown[9]
that,
with certain choices ofS,
the atoms movecontinuously
whenPp
is moved.GPSs have
recently
received some consideration in a seminal paper of Frenkel et al.[10],
inwhich these authors consider the effect of a motion of
Pi along
a circuit inP..L
whichbrings
itback to the same
position ; they
conclude that there is someindeterminacy
on theposition
ofthe final vertices. This
indeterminacy
is,
according
tothem,
related to themultiple,
topologically non-equivalent,
ways ofperforming
suchcircuits,
and takes itsorigin
in theirrationality
of the cut, i.e. in thenon-crystallographic
symmetry
of theaperiodic crystal.
Thetopological
nature of thephase
can indeed be understoodthrough
thestudy
ofloops
andpaths
inP..L’
This iscertainly
a firstapproach
to thephysical
nature ofphasons.
The intersection ofPp
andP..L
isgenerically
apoint
which we noteA..L’
Reciprocally,
apoint
A..L
inP..L
defines aphysical
spacePp
and thequasicrystal
itcarries,
whatever the method ofconstruction which is used. It is therefore of the utmost interest to consider the
topology
of thesubspace
U ofP..L
which
contains all theinequivalent
A..L
s. Thissubspace
isclearly
theperpendicular
projection
onP..L
of the unit cell of thehyperlattice
inEd ;
it is aquasicrystals
which have the samephase
but differby
someglobal
translation. We shallconsider,
in a firststep,
that two q.-c.s which differby
aglobal
translation are different. All theA 1
s which lead to q.-c.sdiffering only by
aglobal
translation form a dense but discretesubset of measure zero in TR or RI.
As a
preliminary
step
to theunderstanding
ofphasons,
weinvestigate
in this paper thetopological
nature of the closed circuits inP.i.
We are also able toclassify
them(as
elements of a certain group ofhomotopy)
and conclude as Frenkel et al.[10]
to their multivaluedness. However we do not think that this multivaluednessimplies
a non-deterministic nature of thequasicrystalline
structure.Finally
we stress the fact that thetopology
of theloops
inquestion
does notdepend
on theprecise
choice ofS,
i.e. on theproperties
ofcontinuity
of thephasons.
In aforthcoming
paper, we shall use thepresent
results toinvestigate
the nature of defects inquasicrystals,
especially phasons.
Our final discussion deals in an intuitive manner with thistopic.
Thepresent
paper is in a sense moreespecially
devoted to thegeometrical properties
ofP.i
« tiled » with TRs or RIs. Apreliminary
version of some of our results[11]
waspublished
in 1988.
2.
Topology
ofphase
shifts ;
nature of theproblem.
The
geometry
of theorthogonal projection
U of the unit cell C of thehypercrystal (living
inEd)
ontoP.i
has been described several times[10].
U(which
is a TR or a RI in thephysical
examples
we shallconsider;
we discuss also some otherexamples)
is.made of the«
silhouetting »
faces of the unit cell inEd,
i.e. those which aretangent
toa dll
-dimensional« ray »
parallel
to thegeneral
directionPli.
Some of the vertices of C fall therefore inside U. Consider now aparticular
C,
thecorresponding
U,
and the set ofprojections
of all the other Cs ontoP.i.
The vertices V of thehypercrystal project along
a dense(non-compact)
set ofpoints V.i
ofP1. Any
vertex V isalways
insilhouetting position
for some of the unit cellswhich are incident to it. Therefore the set of all Us is also dense in
P.i.
.Let us
hang
in each cellCi
of thehypercubic
lattice,
after the manner of Frenkel et al.[10],
ad.i
dimensional manifold o-i, whichprojects
one-to-one onUi ;
the set of all theseequal
« motifs » builds a sort of
special
atomic surface1:a,
(since
the intersections of1:a
withPj
arepoints Ai)
which can be madelocally
continuous over all the cells(for
anillustration,
see Ref.[10]). Since Ui
ishomotopically
equivalent
toDi, 1:a
can be considered as anunfolding
ofP.i
tiled with Us.Any
closedpath (any loop)
inP.i
ishomotopic
to the nullpath
inP.i’
but itsimages (its
lifts)
in1:a,
which are many, have a richertopology.
Whentraversing
the set ofpoints
A.i
of aloop
inP.i’
it isenough
to know to whichUi
A.i
belongs
toget
anunambiguous
image
of theloop
in1:a.
Furthermore,
because of theirrationality,
any twopoints
Ai,
Ay
belonging
to any two different cellsCi,
Cj
project
onpoints
Aii,
Ajj
inP.i
which are carriedunambiguously by
two differentUi,
Uil
even ifA.i i =
A .ij.
1:a
is therefore somecovering
of theUi
s(in
the mathematical sense of this term ; seeMassey
[12])
in whichloops
traced inP.i
are covered eitherby loops,
or evenby
openpaths (j oining
an intersection of aPli
with1:a
to anotherintersection).
There is aparticular covering
of theUi
s, the so-called universalcovering,
in which all theloops
in1:a
are even openpaths.
Thispaper will reach the
topology
ofloops
andpaths
on 1:a
through
thestudy
of the fundamentalgeometrical
andtopological properties
of thesecoverings.
It is remarkable that thistopology
does notdepend
on theprecise shape
of the motif from which1:a
isbuilt,
butonly
on the Usand on their relations of
incidence,
which are theprojections
inPi
of the relations of3. Primitive icosahedral
crystal ;
d =6, dh _ 3.
3.1 THE TRIACONTAHEDRON TR AND ITS LAWS OF INCIDENCE IN
P.L.
The unit cell of aprimitive hypercubic
latticeprojects
onP.L
(d.L = 3)
along
a triacontahedronTR,
i.e. apolyhedron
with 32vertices,
30equal
rhombicfaces,
and 60edges (Fig. 3a).
The faces are theprojections
of the «silhouetting »
2-faces of thehypercube [10].
Twoopposite
andparallel
faces are related
by
avector yi
(i
=1, 2,
...,
15 )
in thehypercubic
lattice ;
yi is also the vectorwhich
joins
the centers of twoadjacent hypercubes.
The yl
sproject
onP.L along
vectors’Y.L s which
join
2opposite
andparallel
rhombuses on a TR(Fig. 3b),
as well as the centers of 2adjacent
TRs. The TR is invariant under the icosahedral groupY,
and inparticular
has acenter of
symmetry.
Let us
study
in some more details thegeometry
of a TR. A TR is divided into 6equivalent
zones, made of
equal
rhombuses(with
anangle
Cf) =63.4349, tg
cp =2)
with oneedge
direction in common. There are 10 rhombuses in each zone. One
recognizes
that infigure
3b.5 of these 6 zones are
generated
by
the 5 rhombuseswhich join
at the centralpoint
I ;
the 6thone is the waist made of the rhombuses which are second
neighbors
to I.Vertices are of two kinds :
V3
vertices have a 3-foldsymmetry
axisjoining
them to thecenter of the TR
(there
are 20V 3
smeeting
at rhombusangles
ç5 = 7r -rp) ; V 5
vertices havea 5-fold
symmetry
axis(there
are 12V 5
s, with rhombusangles Cf)).
Eachedge
carries aV3
at oneextremity,
and aV 5
at the other.Let us consider the 6 directions in
P.L
which are theprojections
of the 6 cubicedges
inE6 ;
their(unnormalized)
components,
in a suitable coordinate framesimply
related to theicosahedron,
are(Fig. 3c)
Fig.
3.- a)
A bird’s eye view of a triacontahedron TR ;b)
itsSchlegel diagram
with faces identifiedby
the symmetry translations of the parenthypercube ; c)
definition of the vectors a, b, c, d, e and f.In the
Schlegel diagram
offigure
3b,
the direction fpoints
upwards,
and is normal to theplane
of thedrawing
at I. It is also the commonedge
direction of the 6th zone alluded toabove.
Since there are 6 directions at each vertex
A.l.
projected
from a vertex A inEd,
each vertex is also Z = 12 coordinated inP.l.’
. It is then easy to show that eachedge
inP.l.
carries 10 facesbelonging
to 10 different TRs. Forexample
theedge along
the f direction inI,
which is aparticular
A -L’
carries the faces(a, f ), ..., (e, f ) (which
are notrepresented
in(a, f)
is cp ; therefore 1 is aV3
for the TRs to which these 5 facesbelong.
It is easy to see thatthere are 5 such
TRs,
each of themcarrying
the 1 vertex and 3 faces which are(a,
f), (c, f)
and(a, c )
for one ofthem,
the otherbeing
obtainedby permutation.
Note thatthese 5 TRs
overlap
around theedge
If,
and thatthey
close after a 4 7r rotation about this axis. Therefore the dihedralangle
of a TRalong
anedge
is 47r /5
inP1..
The
angle
in 1 of the 5 rhombuses oftype
(-
a,f )
is ’P ; 1 is therefore aVS
for the TRs towhich these faces
belong.
There are 5 suchTRs,
and each of them shares a face with the TR which is definedby
the set ofedges t
=(-
a, -b, -
c, -d, -
e )
in I. Forexample
the TRwhich has with t the common face
(-
a, -b )
is definedby
the sequence ofedges
11
=(-
a, -b, f,
-e,
c)
marging
in I.Similarly
t2 =(-
b, -
c,f,
- a, +d),
t3
=(-
c, - d,
f,
-b, e),
etc... The 5 TRs tl, t2,t3,
t4,t5
have common faces. Forexample
t, and
t3
share theface
(- b, + f ).
The natural order of TRs about f is tl, t3,ts, t2, t4.
These 5 TRs close after a 4 TT rotation aboutf,
since the dihedralangle
of each ofthem is 4
7r /5.
It is a remarkable result that the N = 32 TRs
(see
[10])
which meet at a vertexAi
dividenaturally
into two sets, those of theVS
type,
which are in contact 2by
2 and close a4 7r solid
angle
aroundAl.’
and those of theV3
type,
whichobey
the sameproperty.
In both cases we have 5 TRs about anedge.
It ispossible by
combinatorialanalysis
to show that thereare in fact 20
V3
s and 12VS
smeeting
at each vertex. Tosummarize,
the set of all TRsprojected
from the Cs divide into twoindependent
equal
sets, each of them suchthat
a)
thereare 20 TRs at each
V3
and 12 TRs at eachV5 ; b)
any vertex is either aV3
or aV5 ; c)
there are 5 TRs about eachedge. Finally,
the twoindependent
sets are so related thateach
V3
vertex of one set is aVS
of the other set, and vice versa.3.2
H6 ,
THE UNIVERSAL COVERING OF TR. - Let us now unfold the TRs of one of the twoequal
sets discussed above in such a way that theoverlaps disappear,
without anywaycreating
any
void,
andletting
subsist the relations of incidence between them. In sodoing,
anycloset
path
inPl
is coveredby
an openpath,
so that we obtain the universalcovering
of TR. It is a 3-dimensionalcrystal
H6
whose unit cell is a deformed TR(but
still invariant under the samegroup
Y).
This« crystal » (it
is acrystal
in the sense that the deformed TR tilesHl
withoutoverlappings
orvacancies)
lives in a space ofnegative
Gaussian curvature, as weshall see.
The identification of the 2-faces of the TRs 2
by
2yield
the groupH6
of translations ofH6 ,
, which has 15generators
A ij
(i, j
=1, 2,..., 6 ;
seeFig. 3b),
where iand j
number thetwo zones to-which the face
(ij ) belongs.
By definition,
Aij
sends the face(ij )
on theopposite
face
U i),
in the same way as thecorresponding
translationoperator
’Y 1. k does inPi,
or yk inEd.
We shall therefore also use the notation’Yk = Aij.
By
definitionAji
=Ai} 1.
TheA ij’s
obey
12 relationsrk (A jj)
=1,
k =l, 2, ...,12 ;
each of them is obtainedby rotating
a TR around some of itsedges by
anangle
of 4 7r which scans the 5possible
positions
of the TR about thisedge.
Werepeat
thisoperation
for each of the 12 different andNote that in these formulas the
operators
act to theright :
in rl, forexample,
A 12
actsfirst,
thenA 13,
A 16,1 etc... The same convention will be used below allthroughout.
The group of translations
Hb
isfinally
definedby
itsgenerators
and relationsand is an infinite group, since the number of
relations,
which is12,
is smaller than the numberof generators,
which is 15. Thecrystal
H 6
is thereforeinfinite,
but it is noteuclidean,
since the translations are not commutative. It isclearly
ofnegative
curvature, which can also be seen in the fact that the number of TR cells about eachedge,
which is5,
islarger
than what could be accommodated in euclidean space, where 2.5 cells fill anangle
of 2 Ir.However
H 6
is not amanifold ;
theneighborhood
of theV 5
vertices is not a3-ball,
but atorus of genus 4. The vertex
figure
of such vertices inH6
is indeed made of F = 12pentagons,
which are the
planar
sections of the 12 TRs atV 5 ;
the number ofedges
is E = 12 x5
x 1 =
30,
and the number of vertices isV = 12 x 5 x 12,
since each vertex of the2 5
vertex
figure belongs
to 5 TRs. Therefore the Euler characteristic isand
not y =
2(characteristic
of asphere),
as it should be for a Riemannian manifold. The sametype
of calculationyields X (V3)
= 2.H 6 -L
is acrystal
in a space ofnegative
curvature,with
singular points
at each other vertex. Thisintriguing pathology
does notplay probably
anyimportant
role,
but it was of interest to mention it.Note that
H6 is
by
definition the fundamental group of the triacontahedron with faces identifiedby
the "Y J.. k sTherefore this group is related to the group
of loops
on1:a.
It is in fact alârger
group ; some ofits elements
represent
indeedpaths
in1:a
whichjoin
apoint
M on aquasi-crystal
Q
to anotherpoint
M’ onanother,
equivalent, quasi-crystal
Q’,
obtained from the firstby
aglobal
hyperlattice
translation whichbrings
Q
onQ’
and M on M’. Thecorresponding path
in1:a
projects
onP 1- along
apath
whichjoins M 1-
toM i .
3.3 CLASSES OF LOOPS ON
1:a.
In order to select the elements ofH6
whichrepresent
the classes ofloops
on1:a,
weemploy a
methodinspired by
thetheory
ofcoverings
ofgraphs
and2-complexes,
which wedeveloped
in a recentpublication [14]. Although
it is not theonly
wayto reach the results we are
going
topresent,
it has theadvantage
togive
ageometrical
meaning
to theprojection
of thehyperlattice
inP 1- .
Instead of
focusing
our attention onHt ,
, which is acrystal,
let us consider its orderparameter
space, i.e. the spaceB6
whose firsthomotopy
group isprecisely
H6.
As indicatedabove,
TR with faces identified could be used as such aB6,
but there is a muchsimpler
choice.Let us consider a
bouquet
of 15 oriented circlesAij’
all attached to a commonpoint
P,
with 12 disks attached to them suchthat, along
theperimeter
of any of thesedisks,
one traversesthe circles
Aiy
in the ordergiven
by
one of therelations ri
= 0(Eq. (2)).
It is clear that anyloop
on such aB6
is an element of the groupH6,
and that the groupH6
isentirely
andnon-trivially
represented
by
theloops
onB6.
B6
is called a2-complex
and is a 2-dimensionalgroup,
by
definition,
istrivial ;
furthermoreB6
is such that thevicinity
of any of its vertices ishomeomorphic
to thevicinity
ofP,
i.e.showing
up 30 orientededges
Aij
traversing
P,
with disks attached in the same way. All theloops
r ofB6
become openpaths
f
inB6.
The terminalpoints Pi
andPj
of suchpaths join equivalent points
onB6
and thets
are classifiedby
the elements ofH6.
ThereforeB6
shows up the samesymmetries
asH6,
and can in fact beeasily
embedded init ;
it is constructed of theedges
of thereciprocal
lattice
(with
nodes forexample
at the centers of theTRs,
edges joining
centers ofadjacent
TRs)
and diskssuitably
attached. In that sense, there is no difference betweenB6
andH 6 -L ;
B6
is infact,
so tospeak,
theCayley 2-complex
of the group of translationsH6 of H 6 -L
.The
topological properties
ofloops
on 1:a
are moreeasily
discussed whenconsidering
2-complexes
(B6,
B6)
rather thanH 6 1
itself and a TR with faces identified. Infact,
the set ofedges y1
s, which can be used aselementary
segments
along
which theloops
in1:a
can betraced,
constitute acovering
graph
of thegraph
ofedges
inB6,
and it suffices toattach suitable disks to
the ’Yi
s toget
acovering 2-complex
ofB6,
which we note hereafterK6. Similarly,
È6
is also the universalcovering
ofK6,
which indeedstays
midway
betweenB6
andB6. The -yi
s are commutativeoperators,
andK’6
is an abelian cover ofB6.
According
tocovering theory [12],
the fundamental groupirl(iff)
of any cover6
of a manifold(graph, 2-complex, etc...) 6
is asubgroup
of7r,(19).
If, furthermore,
lrl(ià)
is an invariantsubgroup
of7Ti(S),
then thequotient
group H =7TI(g)/1TI(g)
is agroup of
automorphisms
of6.
Thisproperty
isclearly
fulfilled in theexample
above,
with 19 =B6,
S
=B6 ;
we have indeed11’1 (B6)
=1,
andHf =
7T1 (B6),
the group of translations ofB6 (easily
embedded inH 6
Consider now the commutator
subgroup K15
oflrl(1%6);
it isgenerated by
the elementsCij
= yiyy
yl
1 y i
and the related2-complex
has the group ofsymmetry
H =H6/Kls,
whosepresentation
isThis group is
isomorphic
to the free abelian group with 10generators
Zlo,
but is not the group ofautomorphisms
ofIa,
(which
isundoubtedly
Z6).
It is indeedpossible
to show that thereare some
supplementary
relations betweenthe yl
s ;they
can be deduced from theexplicit
expressions
ofthe yl
s which aregiven
in Frenkel et al.[10].
Using
theirnotations,
we find 4independent supplementary
relations(1)
from which we obtain
by
permutation
24 relations betweenthe y
i s, of the form :but we need
only
4 ofthem,
sl, s2, S3, s4, say, to construct the groupsHa
andir 1 (£,,)
which follow(this
is evident in the case of the abelian groupHa ;
the normalsubgroup
ofequation (8)
contains all the 24 relationsby conjugation
and
multiplication
of si(i
=1, 2, 3,
4 ) by
suitable commutationscij).
The abelian group
is therefore a group of
automorphisms
of.!a,
and thecorresponding 2-complex
is made of thegraph
ofthe yl
s with suitablerj-disks
attached,
or of thegraph
of the ’Y 1- i S inPi ,
with the samer,-disks
attached. The fundamental group(the
group of theloops)
of.!a
is therefore the invariantsubgroup
ofHf =
’TT 1 (B6) generated by
the commutatorsCkt and the elements Sm :
4.
Pentagonal
symmetry.
The penrosetiling.
4.1 THE RHOMBIC ICOSAHEDRON RI AND ITS LAWS OF INCIDENCE IN
P ..L .
Thesilhouetting
projection
RI(Fig. 4a)
of the 5-cube ontoP..L’ along
thePli
directions,
has 40edges
ofequal
length,
20 rhombic faces which fall into twotypes
RI(tg cp
=T - 2,
’P =57.36)
and R2(tg f/J =
r2 1 tb =
78.12)
and 22 vertices which fall into threetypes,
V5, 14
and13.
There are :a)
2 verticesV5,
with five-foldsymmetry,
diametrically opposed
onRI ;
the 5merging
rhombuses are of the RItype ;
b)
10 vertices14,
with 4angles ’P, f/J,
7r -f/J, f/J
meeting
in thisorder at each vertex, and
c)
10 verticesI3,
with 3angles
’TT’ - ’P, ir -f/J,
’TT’ - - ’Pmeeting
in thisorder at each vertex. The group of
symmetry
of RI isD5
h.It is known from Frenkel et al.
[10]
that 22 RIs meet at any vertexA 1
inP..L.
All the vertices inPi
areequivalent
from thepoint
of view of the set ofmerging
RIs. These RIs meet faceby
face butoverlap
inP..L.
Each face can be constructed on 2 of the directions(out
of10)
±
a j
(j =
0, 1,
...,4 )
which are theprojections
of the base vectors of thehypercube
ontoP ..L.
The 3components
of the ai s are, in some coordinates frame inP..L
and
project along
the 5 directions of aregular
pentagon
on anyplane perpendicular
to the direction{0,
0,
1 },
which is the 5-fold direction of the RI.We notice that a .. a . 1 -
T - 1
- cos
(
r -
),
a.. a . + 2 =
T
cos p .We notice that
8j . ay
+ 1= =
cos(7T - t/J ),
8 j . 8 j +
2 = -3 =
cos cp. °The
counting
of the faces is then aquestion
of combinatorics. There are 40 faces :2013 10 RIs meet in
A 1
withangles
cp; these are the faces(ay, 8j+2)
and(- 8j, -
8j+2).
Together they
define 2 RIsmeeting
at aV 5’
with no face in common.2013 10 R2s meet in
with
angles
with
angles
inA 1
.Each vertex
A 1
isclearly
aV 5
vertex for only twoRls,
which are built from the first set of Rls.Fig.
4. -The rhombic icosahedron RI.
a)
a bird’s eye view ;b)
itsSchlegel diagram.
The Rls of the second set can be
coupled
twoby
two inadjacent
rhombuses,
say{ ( - a 1, a 3 ), (a3, - ao)}
and form 10 I3s with a R2belonging
to the first set ofR2s,
say(-
ah -a3).
There are therefore 10 I3s.Finally, combining
2 R2s of the second set of R2s with 1 R2 of the first set of R2s and 1 RI of the first set ofR 1 s,
one obtain 10 I4s.There are
therefore,
asexpected,
22 RIs per vertex, each vertex is 10 times a14,
10 times a13,
and twice aV 5.
Finally,
there are 8 facesmeeting along
eachedge,
since eachaj
builds a face with any of theother ±
ay s.
4.2 THE UNIVERSAL COVER
H 5
OF A RI. - Wereproduce
infigure
4b,
theSchlegel diagram
of the RI with faces identifiedby
the same translations whichbring
a 2-face of thehypercube
on an
opposite
2-face. Each facebelongs
to two zones iand j (1 -- i, j -- 5 ),
and is labelledBii* Bij
is also theoperator
whichbrings
the face(i,j )
onto theopposite
face(j, i ).
ThenBij
1 =
Bji.
We affect asymbol
Bij
orBji
to a faceby considering
the direction ofthe vector
product
i1B j (i j)
of the unit vectors carriedby
the arrows which orient theedges
where each relation realizes a rotation about an
edge j =
1, 2, 3, 4, 5 ;
8operators,
i.e. 8 Rls are metduring
thisrotation ;
all theedges
of azone j
are madeequivalent
in the process-(2).
The group of translationsHt
of thecrystal
Hi
which realizes the universal cover of RI has thefollowing
presentation
Again,
since the number of relations(which
is5)
is smaller than the number of generators(which
is10),
the group is infinite. However the 3-dimensional space which carriesHt
is not anhyperbolic
space, but avariety
withsingular points,
since it can beproved,
in the same way as above forH6 ,
that the vertexfigure
of a vertex(all
the vertices areequivalent)
isnot a
2-sphere,
but a torus with 5 holes. Its Euler characteristic isindeed X = -
8,
since wehave
4.3 SPECIALIZING TO THE CLASS OF ISOMORPHISM y = 0. In the de
Bruijn’s
constructionof a Penrose
tiling [ 15],
the relevant domain inP-L of inequivalent points
A -L
is not the fullRI,
butonly
a set of 4planar pentagonal
intersectionsPi,
P2, P3,
P4
of RI with2-planes
perpendicular
to the 5-fold axis. Theseplanes
are indicated infigure
5,
by
their intersectionswith the RI. The
corresponding tilings
are said tobelong
to the « class ofisomorphism
y = 0». The
pentagons
belonging
to twoadjacent
RIs are themselves in contactalong
these intersections. Note that twoedges
likeaf3
anda’ /3’
infigure
5,
whichbelong
to twodifferent
pentagons
of theRI,
areequivalent
under the translationB12.
B12 brings
in fact oneP3 belonging
to the RI under consideration into anadjacent
RI ;
we notebl2
the restriction of theoperation
BI2
to a translationacting
on apentagon ;
repeating systematically operations
of thattype
with all thebij
s, it ispossible
to construct the covers of the 4pentagons,
which areundoubtedly
4hyperbolic
crystals {5,10}
sitting
in 4hyperbolic planes
(3)
(there
areFig.
5. - Domain ofinequivalent
A 1.
s for the class ofisomorphism
y = 0 ;Schlegel diagram.
Theedges
of the 2 pentagonsPl
andP4 (resp. P2
andP3)
areequivalent
under the elements of the group ofhyperbolic
translations(b13’
b14, b24, b2s, b3s ; u
=1)
(resp.
(bl2,
b23, b34, b4s, bsl ; v
=1)).
(2)
The identifications between ourBij
s and the ’Yt s of Frenkel et al.[10]
are as follows :10
pentagons
at eachvertex).
Each cellof H 5
is foliatedwith
4 {5, 10}
s, and the set of all its cells is foliated with an infinite ensemble ofsimilar (5, 10}
s, which we noteHi
(y
=0).
Consider the4 (5, 10}
sbelonging
to agiven
RI.They
divide into twotypes ;
sometranslations
bij
bring
Pi
along
apentagon
of thehyperbolic plane
whichprolongs
P4,
while some othersbring P2 along
thehyperbolic plane prolonging P3,
but nôopération
brings Pl
orP4,
along
thehyperbolic plane prolonging P3
orP2.
A translation whichbrings
Pl
into apentagon
adjacent
toP4 brings P2
andP3
intopentagons
belonging
to otherhyperbolic planes.
It is easy tofigure
outthem,
how thebij
sdivide,
and to calculate therelationships
which linkby
a natural extension of Maskit’sprocedure
to thecomplex
«polygon »
made of the 4 facesPi, P2, P3, P4,
withedges
and verticessuitably
identified. One finds in fact two relations between theoperators
blJ,
specifically
The
meaning
of u - 1 isthat,
by applying b 35
toPl,
say, thenb - 13
to P4 plus
theimage
b35(PI)
to which it is nowglued,
thenb 141,
etc..., one finds the 10pentagons
which close spaceabout the vertex from which we have started the
procedure (here a ).
Note that the unit cell(the
fundamentaldomain)
of a {5, 10}
is made of twopentagons.
It is easy toverify
that the Euler characteristic of the fundamental domainis X - -
2,
as it should be for a{5, 10 },
since V = 1(all
the vertices of the twopentagons
Pl
andP4 identify
in theprocess),
E = 5
(the
10edges identify by pairs)
and F = 2(two
pentagons).
The relation v - 1 refers toP2
andP3.
We can alsointerpret
theoperators
u and v as thegenerators
of the invariantsubgroup
of H 5
which leave thehyperbolic
2-dimensionalcrystals
invariant under the 10-foldrotations about the
edges
of the Rls.Finally,
the group ofsymmetry
of thehyperbolic
foliationH 2 -L
(y =0)
is thequotient
group ofHt
where the
bij
s inequation (12)
have beenreplaced by
Biy
s.4.4 SPECIALIZING TO THE CLASSES OF ISOMORPHISM ’Y =1= 0. - Pavlovitch and Kléman
[17]
have shown that for thegeneralized
Penrosetiling
the domainof unequivalent A 1.
s is madeof 5
planar
sections of theRI,
2pentagons
and 3decagons (Fig. 6).
Theedges
of thesepolygons identify
under the translationsbij
s. Asabove,
we can build the universal cover ofthis
domain,
using
Maskit’sprocedure,
and calculate its group of translations. We find thesame relations than for
H -L 5
(Eq. (10)),
andconsequently
the same group of translations :In a sense, this is not a
surprise,
because the foliationHi
(’Y #= 0)
is embeddedgenerically
in
H5 .
This was not so forH 2
(y =
0).
Each foil of
H 2
(’Y #= 0 )
is atiling
ofdecagons (6
at each vertex, as it can beshown)
andpentagons
(2
at eachvertex),
the sum ofpolygons being
8(there
are 8 RIsmeeting along
anedge).
The Euler characteristic of the fundamental domain(which
is made of 2pentagons
and 3decagons) is y = -
10,
since the set of the 5polygonal
sections of theRI,
withedges
and verticessuitably
identified,
contains = 5independent
vertices, F
= 5faces,
and E = 20independent edges.
Its genusis g
=6,
i.e. it is also a torus with 6 holes.4.5 TOPOLOGY OF THE PHASE.
- ,¡’a
is a 3-dimensional surface. IfPjj
is moved at’Y =
constant, i.e.conserving
the class ofisomorphism,
then any vertex Abelonging
toPil
moves in a 2-dimensional cut of$a,
belonging
to a foliation which we note,’a ( ’Y).
The fundamental groupof any
foil in£a ( Y )
is related to the fundamental groupof any
foil in
Hi (’Y).
We have discussed elsewhere[18]
in some details thesymmetries
and fundamental groups of 2-dimensionalhyperbolic crystals
« with manifold » : the group oftranslations
depends only
on the genus g of thecrystal,
and has thefollowing
standardrepresentation
where the
Ai
s form a set of2 g geherators.
In thisrepresentation,
the unit cell(the
fundamental
domain)
is aregular
4g-polygon,
and anygenerator
Ai brings
anedge
of thisunit cell to the
opposite edge.
Butequation (15)
isonly
onepossible representation
of thefixed
point
free group, which acts on the fundamental domain of thehyperbolic tiling of genus
g ; we have seen above that the natural fundamental domains which are of interest in our case are not
regular polygons.
It is therefore useful to look forrepresentations
whosegenerators
are more
directly
related to the natural fundamental domains.We consider
only
the case y =0,
forsimplicity.
The two foils of the atomicsurface.
1:a(Y
= 0 ;
Pi, P4)
andX ,(Y = 0;
P2, P3)
aredifférent,
andthey
are theimages
inES
ofhyperbolic
surfaces of different curvatures(related by
inflationsymmetry),
but tiled thesame way,
along
a {5, 10},
the domain ofacceptance
in each foilcontaining
2 pentagons
(which
build a fundamental domain of thetiling).
These twopentagons
can bereplaced by
thefundamental domain of the dual
tiling ( 10, 5},
adecagon
which can be shown to have thesame area than the
2 pentagons.
Therefore thisdecagon
is anequally
validacceptance
domain. The
edges
of thepentagons
are the translations whichgenerate
thé {10, 5}
and it is of interest to use them as newgenerators
(rather
than thebij
s)
for thehyperbolic
group. Infact,
we define thefollowing
generators
(for
the caseP2, P4)
The
equation
u = 1(Eq. (12))
reads now :must be found. We obtain it
by introducing
first another set of(pentagonal)
generators
which
obey
the(clearly evident)
relation :Express
now the ai s in function ofthe ai
s. We haveby
définitionFig.
7.- {10,5}
and related generators(the
denomination of the generators is at variance with the text, but the reader willeasily
make the relevantidentifications).
According
toequation (19),
we have thereforeSince,
forexample,
a 5 =a3 a5
according
to(20),
wehave,
after(21) :
Hence the second relation between the ai s
It is easy to convince oneself that the ai s act in the
hyperbolic plane,
and arealong
5pentagonal
directions. Forexample
aprojects
inP 1-
to Y2 - Y9 =(1,
0, 0, 0,
1),
which is apentagon
over anedge
of the samepentagon.
Note furtherthan,
by eliminating
a 5, say, between
equation
(17)
andequation
(22),
one recovers a relation of thetype
displayed
in the grouprepresentation
ofequation (15),
with somechange
in theséquence
ofedges, only.
Therefore the two relations u =- 1(Eq. (17))
and u’ == 1(Eq. (22))
are therelations of the group of translations of the
hyperbolic crystal
{5, 10}
where the ai s are linear combination of Yi s.
According
to thereasoning
done for the icosahedral case, the fundamental group of$a(Y =
0 ;
P1,
P4)
is the commutatorsubgroup
ofH t 2(y
=0).
There are nosupplementary
relations between the yi s involved in the ai s
(Y2,
y3, ’Y6, ’Y7,y9).
Similarresults,
mutatismutandis,
hold forHt(y -
0 ;
P2, P3),
which is a groupisomorphic
toHt (P1,
P 4) ;
here too the’Y; s
(Yi,
’Y 4’ ’Y 4, y8,’Y10) .
form a set ofindependent
vectors.If the
representative point
A-L
ofPp
is allowed to movethrough
all the 3-dimensionaldomain
RI,
the fundamental group of theloop
in$a
is now the commutatorsubgroup
ofHt,
with somesupplementary
relations between theBij
s due to thesupplementary
relations which exist between the10,yi
s. There are 5 such relations which we do not write.5. Some
simple pedagogical examples.
We show here how the above
concepts
apply
in 2 verysimple
cases which have also beenconsidered
by
Frenkel et al.[10].
5.1
H5 ,
THE CRYSTAL FOR THE CASE d =3,
d 2. -
In thisvery
pedagogical
case, the1-d «
quasi-crystal »
isperiodic.
There are3 y
i s, which can be taken as y i -1, -
1, 0 ;
y2 = -
1, 0, 1 ;
y3 =
0,
1, -
1. HenceYI + Y2 + Y3 = 0. The
projection
of the unit cube inP..L
is anhexagon (6 )
which tiles theplane.
ThereforeH3 -L
{6, 3},
which is the universalcover
of {6} ;
the related2-complex
je, 13
is at the same time the universal cover and theabelian universal cover
iT’ = je,3
of thebouquet B3,
made of 3 circles with 2 disks attached. We have indeedThe fundamental group of
1:a,
which is also the fundamental group of(T ’
is therefore trivial. This is inconformity
with the fact that this «quasi-crystal »
is in fact a trueperiodic crystal.
5.2
H 4 ,
THE CURVED CRYSTAL FOR THE CASE d =4,
d.L =
2. - Thispedagogical example
has also been discussed
by
Frenkel et al. Theprojection
of a 4-cube inP.L
is aregular
octagon.
Hence
H 4 8,
8},
thehyperbolic crystal
of genus g =2,
is the universal cover of theprojection
of the 4-cube inP .L.
The related2-complex
H4
is the universal cover of abouquet
B4
whith 4 circles and one disk attached which realizes theunique
relationThe abelian cover
T’1
is universal because there are nosupplementary
relations between theindependent
vectors y i s. Therefore thesymmetry
groupof J" is ’Y i ; r
=1, kij = 0 >
and its fundamental group7ri((T )
is the commutatorsubgroup
of 7T 1 ( $4) = ’Y i ; r = 1 ).
Note that in the 4 --> 2 caseHi
hasonly
one sheet : any 4-cell of thehypercubic
lattice can be reached6. Discussion.
As we shall see in some detail a
forthcoming
paper, the fundamental groupirl(£.)
of1:a,
thespecial
atomic surface which has been introducedby
Frenkel et al.[10],
classifies thephason-type topological
defects. In a Penrosetiling,
a mismatch is such atopological
defect(Fig. 2) ;
in thed = 3, d.L = 2
case studied in section5.1,
the fundamental group’TT’
(1:a)
istrivial,
which is in accordance with the fact that the 1-dimensionalquasi-crystal
isperiodic.
In this last case, the fundamental groupIrl(U) _ Z3
isisomorphic
to the group oftopological
dislocations of the 3-dimensional cubic lattice inEd.
This is not either the effect ofa
coincidence,
but the illustration of a moregeneral
property ;
we summarize these results asfollows.
We have in this paper introduced two order
parameter
spaces. The first one,U,
is theprojection
in theperpendicular
spaceP.L
of the unit cell of thehyperlattice.
Each of itspoints
A.L
represents
aquasi-crystal
which is made of the set of atoms at the intersection ofPli
and of the set of atomic surfaces in the sense of Levitov[9].
Pli
intersects U inAi-
All thepoints
of U lift to differentPl s,
which differ one from the otherby
aphase
shiftand a
displacement ;
thePp
s which differ one from the otherby
a trivialphase
shift form densesets in U. The fundamental group of U
(whose
universal cover isH d )@
’TT’ 1(U),
classifies thereforephonon
topological (dislocations
ofBurgers’
vectors bequal
to asymmetry
translation in the d-dimensional
lattice)
defects andphason
topological
defects,
according
tothe methods of the
topological theory
of defects[19].
Butphason topological
defects arespecifically
definedby
theloops
in1:a,
which are classifiedby
7rl(£a),
an invariantcommutator
subgroup
ofir 1 (U).
Thequotient
ir 1 (U) / Ir 1 (-Va)
is therefore an abelian group,which here is
Zd,
i.e. the group of dislocations inEd.
Thephason topological
defects arerepresented by
loops
in1:a,
and the dislocations bby
openpaths,
whichproject
inP .L along
openpaths
whichbring
apoint
A.L
i inUi
on anequivalent point
Ajj
inUj.
These openpaths
in1:a
have therefore a clearmeaning,
sincethey
can be classified in U asclosed
loops, by folding
of thepath
A.Li
i Ai j.
But other openpaths
in1:a,
those which forexample bring
apoint
Ai
to apoint
Aj
belonging
tothe
samePli
docertainly project along
aloop
inP.L’
but the cover of such apath
inH d
does notjoin equivalent
points
inVi
andUj.
Thereforethey
are notrepresented
inirl(U).
These
paths,
whichclassify
thephysical possible Burgers’
vectorsbll ,
i.e. theprojections
of the d-dimensionalBurgers’
vectorsb,
are therefore not included in thepresent
discussion of thetopological properties
of defects inquasi-crystals. Similarly
theperpendicular
Burgers’
vectors
b.L =
b - b il are not included either. Therefore thephasons
which we have here inmind are indeed the LPSs we mentioned in the first section.
To end this
discussion,
let usemphasize
oneagain
the fact that thepresent
topology
of thephasons
does notdepend
at all on thespecific
atomic surface which ischosen,
and inparticular
on the continuous or discontinuousphysical properties
of thephasons.
Acknowledgments
We are