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HAL Id: jpa-00246821

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Submitted on 1 Jan 1993

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Planes and rows in icosahedral quasilattices

T. Kupke, H.-R. Trebin

To cite this version:

T. Kupke, H.-R. Trebin. Planes and rows in icosahedral quasilattices. Journal de Physique I, EDP

Sciences, 1993, 3 (7), pp.1629-1642. �10.1051/jp1:1993205�. �jpa-00246821�

(2)

Classification

Physic-s

Absfi.acts

61.50E 61.50J 61.80J 63.90

Planes and

rows

in icosahedral quasilattices

T.

Kupke

and H.-R. Trebin

Institut far Theoretische und Angewandte Physik, Pfaffenwaldring 57, D-7000

Stuttgart

80,

Germany

(Receii,ed 8 December J99?, accepted in final form 9 March J993)

Abstract. The planar and linear substructures of a threedimensional icosahedral Ammann- Kramer-Penrose quasilattice have been analysed.

Infinitely

many families of planes and rows are

existing

such that each

family

covers all vertices of the quasilattice. The members of a

family

of parallel planes are separated

by

at least three but

a finite number of different distances, whose sequence is quasiperiodic and can be

uniquely

characterized by a

strip-projection

method from a

two-dimensional

periodic

lattice. The same is valid for the sequence of vertices on each row. The

vertex pattem in each single plane results from a

strip-projection

from 2 + 2 dimensions. In

addition to several

specific

patterns we have determined the vertex occupation densities of planes and rows and their statistics. The families of planes with

highest occupation

densities

correspond

well to minima of

backscattering profiles,

which have been calculated in numerical simulation of

heavy ion-channeling

in the

primitively

decorated

quasilattice.

1. Introduction.

The geometry of

periodic

lattices is rich but its

variety

is

by

far not

comparable

to that of

quasiperiodic

lattices. A computer

model,

which we constructed for the well-known

icosahedral Ammann-Kramer-Penrose

quasilattice [I]

indicated that the vertices can be

assigned

to

planes

and rows

[2].

But contrary to

periodic crystal lattices,

the

planes

of a

family

neither are stacked

equidistantly

nor are

geometrically

congruent.

Nonetheless,

numerical simulations

[2]

Showed that the

planes guide

ions in

channeling-backscattering,

and the

feasibility

of

channeling

has been confirmed in the meantime

experimentally

for

decagonal quasicrystals [3].

A mathematical

proof

for the existence of

planar

and linear substructures in the Ammann-

Kramer-Peniose quasilattices

has been

given by

Katz and Duneau

[41.

From their

theory

follows

immediately,

that in the

quasilattice

there are

countably infinitely

many families of

planes

and rows. The sequence of vertices on each row and the vertex pattem in each

plane

are

quasiperiodic

as well as the Sequence of

separations

of

planes

in a

family

or the

projection

of a

family

of rows onto an

orthogonal plane.

All these

quasijeriodic

patterns and sequences

can be constructed with the

strip-projection

method

[5

and are characterized

uniquely by

a lattice and the width of the

strip.

(3)

We have

applied

the

theory

of Katz and Duneau [41 to construct several of the

patterns.

A

quantity

most

important

for the

ability

of

planes

and rows to channel ions is the

density

of

vertices, according

to the

theory

of Lindhard [61 for

periodic

lattices. We have determined those families of

planes

and rows which carry the

largest occupation density.

Their normal or

their direction vectors,

respectively~

are

pointing

either

parallel

or

perpendicular

to

high

symmetry directions of the icosahedron. In one

family countably infinitely

many

occupation

densities are found. No two

planes

or rows are congruent.

An

investigation

of the structure of rows in twodimensional

quasilattices

has been

published

in reference

[71.

To

clarify

the notations~ we repeat the

strip projection

method in section 2. In section 3 the

correspondence

of

planar

and linear structures in

parallel

and

orthogonal

Space is outlined.

Quantitative

data on

planes

are

Supplied

in section 4, and on rows in Section 5.

2. The

strip projection

method.

An

important

tool for our

analysis

is the

strip projection

method

[51.

In its most

simple

form it enables us to construct a one-dimensional

quasilattice.

Let us review

briefly

In order to tile a

straight

line, called the

parallel

space Ej(, with two types of intervals in a

quasiperiodic

way (see

Fig. 1)

consider the square lattice

Z~

in the

plane

E~. The

slope

of Ej( with respect to the canonical basis of E~ is irrational. Parallel to Ej( a

strip S(

is obtained

by shifting

the unit square of the lattice

along

the line Ej) (the

subscript

U indicates that the

strip

is

produced by

the

shifting

of the unit cell of the lattice). The one-dimensional

quasilattice consisting

of the vertices,t. is obtained

by

the

orthogonal projection

of the lattice

points

n ~

Z~

within the

strip S[,

onto

El

,r =

ar~j

(n), fi ~

S(

n

Z~ II

Projection

onto

perpendicular

space

E[ yields points

.<'

= ar~i in ), n ~

S(

n

Z~, (2)

which cover a finite section of

E[

of the width of the

strip S[.

Since the

slope

of

Ej( is irrational the distribution of the

points

x' is dense and

homogeneous.

In a first step the method is

generalized

as follows. Consider the n-dimensional lattice Z" in the Space

E~

=

Et

e

E[~~

(3)

Et

is the d-dimensional

parallel

space. The

strip St

is defined

by shifting

the n-dimensional unit cell of Z~

along Et.

The

quasiperiodic tiling

in

Et

results from the

orthogonal projection

of the

lattice

points

n of the

strip St.

The

special

case n

= 5, d

=

2

yields

the Penrose pattern. For the three-dimensional Ammann-Kramer-Penrose

quasilattice

the data are n

= 6, d

= 3. The pattern in the

physical, parallel

space

El

consist of two types of rhombohedra, a flat one and a thick one, with identical

facets and

edges [8, Il.

The

projection

of the six-dimensional unit

hypercube W~

onto

E(

generates a rhombic triacontahedron

ar~j (W~).

The

points

x'

=

gr~j

(n), n ~

S[

n

Z~

fall

within this convex

polyedron.

Their distribution is dense and

homogeneous.

In the

following

we

frequently

use a

generalized

version of the

strip projection

method, where the

hyperlattice

must not be cubic and where the

strip

it not

generated by shifting

the unit cell rather has

arbitrary

width.

(4)

y

. o . . . . . . . .

. o o . . . o . e .

. °

Sl

. . . . .

(5)

Any

direction D in E(~ defined

by

two

points

xj~ x~ ~ E(~ has a

unique

partner direction

D' in

E(,

defined

by.i(

and

xi ~E(.

The

planes perpendicular

to D are denoted

P~j~

(I

~Z numbers the

infinitely

many members of the

family,

the

subscript

ID or

ID' indicates

quantities,

which

depend

on the directions D and D'

respectively).

Each

plane P,j~

includes at least one vertex x. The

position

of a

plane P,j~

I D is

given by

the

orthogonal projection ar~(P,j~)

onto the direction D. Each

plane

has a

unique

partner

P,'jo,

ID' in E

(,

which is

orthogonal

to D' and

intersecting

D' at

ar~,(P,'jo,).

The natural

isomorphism

is valid also if restricted to D or

P,j~.

Hence every

point.i

of D or of a

plane P,,~

ID has its counterpart on D' and P,'jj~, I D'

respectively.

Remember that all

points

x' are contained in the

triacontahedron ar~i

(W~).

4. Planes.

Choose an

arbitrary

direction D in the

quasilattice.

We are interested in the

following questions

about the

family

of

planes P,j~.

. How can the

position ar~(P~jD)

be determined and what distances appear between

neighbouring planes

?

. How can we calculate the

occupation density

of a

Single plane

and its average over the

family

?

. Which families of

planes

Show the

highest

average

occupation

densities ? This

point

is very

important

for

channeling experiments.

. How can the pattern of vertices in a

single plane

be constructed ?

In order to determine the

positions

of the

planes

P~/~ i D note that E~ can be

decomposed

into a direct sum of

subspaces

:

E~=E(%E( =D%P,/~%D'%P,'~D>. (4)

Therefore the lift of the

projections

no

(P,/~)

and

ar~.(P,'/~,)

is contained in a space

W=D%D', (5)

which itself embraces a two dimensional

plane

of the

hyperlattice.

Katz and Duneau [41 have demonstrated~ that the

positions

of the

planes

P~/~ and

P)j~,, respectively,

are determined

by

a

strip projection technique.

The

corresponding

lattice is the

projection arw(Z~)

of the

hyperlattice,

the

strip

SW is the

projection arw(S[) (Fig.

3). This fact is

expressed by

the

equations

~j "D(P'/D)

"

"D("W(z~)

n

sW), (6)

~J ~rD(Pi/D.)

=

~rD(~rw(Z~)

n

Sw>, (7)

which are based on the identities

ar~(Z~

n

S[)

=

ar~(arw(Z~)

n

Sw), (8)

"D'(z~

n

s[)

"

"D'("Wlz~)

n

sW), 19)

derived from

equation (4).

We have

applied

this

strip projection

method for many directions D and have

found,

that at least three different

lengths separate

the

planes

in each

family. Examples

for five families are

displayed

in

figure

4, the

separations being

tabulated in table I. The

edge length

of the

rhombohedra is assumed to be

I/,I

(6)

~i

~

~ W

=

De

D'

SW

~

o

o

o D

o o

o

o <

«D(fl/D)

o o

Fig.

3.

Strip projection

method in W D e D' to obtain the

positions

7rD(P,~D) and 7rD.(P,[DI of the planes P,,D and P,',D.

respectively.

The smallest basis cell of the lattice

7rw(Z~)

is marked

by

the thick

lines.

---_---_---_-- -_---_---_---_---

-5.loo 5.~oo

~

5.j~~~~~~~~~~~~~~'~~~~~~~~~~~~~~~~~'~'~'ooo

~

5.

jjj~~~~~~~~~~~~~~~~~~~~~~~~~~~~~)~oo

o ~

_-___-___-_-_=-___-_-__=-_=-__,-_-___-__-__-___-,-___-___-_-_=-_-___-__--,-=-,-=-

-5.~oo 5.~oo

~

Fig. 4.

Quasiperiodic

sequence of the

separations

(indicated by the horizontal lines) for five different families. Every family (labeled by a direction D

perpendicular

to the planes) is named by a capital letter.

Table I.

Sepa;ations

w>ithin the

families of planes

whose notation is

gii>en

in

figure

4.

Direction H R I A C

0.142 0.075 0.133 0.062 0.075

0.230 0.242 0.164 0.100 0.121

0.372 0.316 0.297 0.162 0.195

Let us now be concerned with the average

occupation density fij~

in a certain

family

of

planes. fil~,

which is the average number of vertices per unit area, is of

particular importance

for the

interpretation

of

planar channeling experiments

because it determines the

angular

half

width ~ ' of the

backscattering profile [91.

i

JOURNAL DE PHYS<QUE T 3 N'7. JULY <99~ iy

(7)

The

quantity fi,~

and the average

separation d/~

of the

planes

are related

by

the number of vertices per unit volume p

BID =

PdiD ( lo)

p has been derived from the statistics of vertex environments for the Ammann-Kramer- Penrose pattem from the

probability

of occurrence for the local patterns around a

point [101

and the

length

II

/

of

an

edge

of the rhombohedrons as

p =

4.353

(ll)

The average

separation d,~

is derived

by

the

strip projection

method as follows denote

by F$,(/~

the area of the smallest basis cell of the lattice

arw(Z~)

in W

=

D % D'.

Exactly

one

point

of

arw(Z~) corresponds

to each cell. The average

separation

of the vertices

ar~(arw(Z~)

n

Sw)

on D is

j~j2)

d/D = ~'~~~

(12)

b(Sw)/D

where

b(Sw)/D

denotes the width of the

strip Sw.

With

equation j10)

the average

occupation density

of the

planes

in a certain

family

is :

~ F$,(/D

~~ ~

b(Sw)/~

~~~~

Because the width of the

strip

SW

equals

the extension of the triacontahedron ar~

j (W~

) in the direction D,

b(Sw)~~

results from

b(Sw)/o

=

~~'~

(14)

F

(P)%'

Vi

j (W~)1

V~~,~ = 4.353 denotes the volume of the triacontahedron ar~

j (W~

) and

f (P,'/~.

n ar

~

j (W~))

is the size of the average section of a

plane P,'jo, through

ar~i

(W~ ).

Therefore we

finally

arrive at

~lD

~

(

~

i'~/D

~ ~~~/D' ~ ~~~

~~~

Da

=

F$,(/~

F

(P,'j~,

n ar~3

(W~

(15)

For

explicit

calculations of BID relation

(13)

is more

appropriate

because

fl

(P,'jD, n

ar~3

(W~))

has to be determined

numerically.

Relation

(15)

will become useful later.

For ion

channeling

it is of

particular

interest which families of

planes

have the

highest

average

occupation

densities. These should exhibit strong

channeling properties.

All directions D

(characterized by

unit vectors) which are not

equivalent

under the

icosahedral group are contained in a solid

angle spanned by

three fivefold axes

(R)

of the icosahedron

(see Fig. 5a)

which

projects

on a

plane perpendicular

to I as in

figure

5b.

Those ten directions which carry the

highest

average

occupation density

BID

(according

to

Eq. (13))

are marked in

figure

5b. The numerical values of BID are

displayed

in table II, the

angles

between the directions D in table III.

(8)

1

R

H

i

d

~

[.

.

~

.

~

~B°

f~~

.

c 9 1

~

~

° .

~

h

o o ~ o °

Fig. 5. al Space sector of

non-equivalent

directions D b)

projection

of the space sector on a

plane perpendicular

to the threefold axis (I) and presentation of the ten families of

planes

(indicated

by

a capital letter) which show the highest average

occupation density fi,o.

The radius of the point~ is

proportional

to the

respective

fi,D. The small letters denote the

angles

between the directions D.

Now we turn to the

occupation density B,j~

of a

single plane P,/~

in a fixed

family.

Each vertex x on a

plane P,jD corresponds

to a

point.i'

on the section

P,'%,

n

ar~j (W~).

Since the

occupation

of the triacontahedron

ar~j (W~)

is dense and

homogeneous

the

following

relation holds

B,jD

F

(P,'/~,

n gr~i

(W~)), (16)

the

proportionality

factor

being

determined

by comparison

with

equation (15)

B>/D ~

F I>(/D F

(Pl/D'

n " El

(w~ ii (17)

The

occupation

densities vary

strongly

within a

family

because the sections F

(P,'/~.

n ar~

j (W~))

range from zero to a maximum value as a rule. Due to the geometry of the

triacontahedron each value

F(P,'j~,

n ar~3

(W~))

occurs

exactly

twice which means that in an

infinite

family only

two

planes P,jD

show the same

occupation density.

The situation is

completely

different from

periodic

lattices with a

single occupation density

per

family.

The construction of the vertex

pattern

in a fixed

plane P,jD

is based on two arguments

first,

the six-dimensional lifts n ~

Z~

of the vertices

x ~ P~/~ and their

partners

x' ~ P~'jD, lie within a

(9)

Table II.

Ai>erage occupation

densities

of

the

families of planes fi.om fi~qure

5b.

Direction

Description

fi~~

H twofold axis I. 13

R fivefold axis 0.850

threefold axis 0.694

A 0.488

C axis in the mirror

plane

0.477

J 0.324

G 0.322

L 0.321

E 0.320

B 0.310

Table III.

-Angles

betw,een the djrections D

of figure

5b.

Angle

a b c d e

f

[°]

15.451 5.455 5.451 13.283 9.l10 4.172

Angle

g h I

j

k

[°]

20.905 9.732 3.882

four-dimensional

hyperplane V,/~

=

P,jD

e

P,'/~,.

Second, the

points

~~' are contained in the triacontahedron. It follows that the six-dimensional lifts of x and x' are

placed

within the

strip

~V,,~ "

~~

~

~</D.

To find the

positions

x ~

P,j~

and x'~

P,'jo,

we

again perform

a

strip projection

method

~ ~ ~~»D~ ~V,~D~~~ ~ ~V,>D~~ ' ~~~

,i' ~ grp,,~

(grv ~~(zb

n

sv,~)), (19)

In

figure

6 for three families the vertex pattems of the

planes

with

highest occupation density

are

plotted.

The patterns consist of characteristic motives. For the case of a fivefold direction there are

regular

five- or ten-Sided

figures

which Show up in all

planes though

these may differ in

occupation density.

5. Rows.

Given any lattice direction D all vertices x can be

assigned

to a

family

of rows

K,j~ parallel

to D.

Analogous

to section 3 the

following questions

are of interest

. How can the rows

K,/D,

r ~

Z,

of a certain

family

be characterized ?

_. What can we state about the

occupation density L,j~

of a

single

row and the average

occupation density L%

of all the

strings

in a

particular family

?

. Which families have the

highest

average

occupation density £/~

?

. How can the vertices ~ on a

Single

row

K,/~

be constructed ?

(10)

~.~~

~

~.~~

~ ~ ~ ~ ~ ~ ~ ~ ~

~ @ ~ ~ ~ ~ ~ ~

~.~~ ~ ~ ~

~ ~ ~ ~ ~

l.00

~

° *

. ~ ,_ao

.

* AK,

~

@ f' ~ O

fl . o ,

~ ~ ~

~ O ~

~ ~ ~

~

~

~ ~ ~

~ ~ ~

. .

~ ~ ~

~ ~

~ ~

3.00 3_00

3.°0

?.00

a

~ .

o

. ~

i

~

00 ~

~

o ~

o

o

o ~

C)

Fig.

6.

(I)

(11)

~

O . .

«

-

0,0 3,0

3,0 0,0 3,0

Fig. 7. Examples for vertex pattems in three

planes

with different

occupation density perpendicular

to the fivefold axis (RI. One can identify fragments of the two motives of figure fib.

Examples

for intersections of rows

K,~~

with a

plane

P~~ are

given

in

figure

8.

The average

occupation density

L~~ of a

family

is

i~~

=

~

(23)

f~

where

f~,~

denotes the average number of

strings

per area of P~~ and results from

F Wpj~ (WE

) (~~

II

~K»D j~j41 ~~

min/D

F(wpj~ (w~j(W~)))

and

Ff,(/~

describe the size of

wp,.~

(w~j (W~))

and the area of the smallest basis cell of the lattice

wv(Z~)

in V,

respectively.

Therefore the average

occupation density Lj~

is

j~14j LID # P

~'~~~

(25)

F Wpj~(WE

) (W~

)

(12)

~ ~

. .

~ ~

.

~'.

~~

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2.00 '

~

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o . ~ o . . ~~ o o, o ,o e

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"

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~'.

.. .. . .~ ..

.

. , .. . . . ' .

. . ~ .

~ o

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e . o .o

H

°.°°

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~; °j i]; (( lij~

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3.0j

~ ~/,l.00 0.00 ' .°°

~

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C)

The denominator is obtained

by

F

(arp,~ (ar~ j (w~»>

=

~'~"~

,

(26>

I (Kj~~

n w

~

j (w6

>1

where

f(K,'/~,

n w~i

(W~))

denotes the average

length

of a section

K,'j~,

n w~i

(W~).

Now

equation (25)

transforms into

"

~fi~/D (l~llD'

~ " El

(~~) (28)

To determine the families of rows of the

highest

average

occupation density

we have

examined many different directions D

according

to relation

(25).

The ten families of rows of

highest density

are listed in table IV. The sites of the

respective

directions D are

again

obtained from

figure

5b because

they

are identical to those of

highest

values B~~.

(13)

Table IV. Ten

families of

row,s whit-h show the

highest

ai,erage

occupation density i~~.

Direction D

L~

H 0.651

R 0.632

0.401

A 0.309

C 0.290

G 0.211

B 0.193

E 0.189

L 0.187

J 0.186

We nevertheless must

point

out that the fraction

~~~

is not constant. It

depends

on the

L/~

geometry of the triacontahedron w~~

(W~) along

the

respective

direction D

(recall Eqs. (15), (28»

h~~ Ff,~D

F

(P),o,

n w~~

(W~))

LID Ff>[/D f

(KllD'

n "

j (W~

))

< (pj~~,

n w~i

(w6»

=

~

,

(291

f

(K,'/~.

n

ar~j (w~»

where we

applied

the relation

Fj,(~~

=

Ff,(~~ (the proof

is too

lengthy

to be

presented here).

By analogy

with

equation (28)

we can determine the

occupation density L,,o

of a

single

row

K,/D

~,/D

"

~~~/D ~(l~llD'~ "E( (W~)

).

(30)

f(K,'~o.

n w~i

(W~))

is the

length

of the section of the

corresponding string

K,'~~, in the

triacontahedron.

According

to

equation (30)

one can calculate the

occupation density

L,~o of any

given

row

K,~o.

Within a certain

family

there exist

infinitely

many different

occupation

densities because the

length

of the sections K,'~~, n

w~j (W~)

i D'

again

range from zero to a maximum value as a rule. In contrast to the

planes

an infinite number of rows of a certain

family

show the same

occupation density

because the

starting

or end

points

of the section K,'~~, n w~

j (W~)

with a

definite

length

form a closed curve on the surface of the triacontahedron. Because the

distribution of the

points

x' ~ w~

j (W~

is dense and

homogeneous,

the

length

of the curve is a

measure for the

frequency

H of such a section, this means of a certain

occupation density.

Figure

9 presents the distribution for rows

parallel

to the fivefold direction R.

The sequence of the

points

x on a certain row

K,~~

is also obtained

by

a

strip projection

method in the space

W,~~=K,~~%K,'~~,

with the lattice

W,~~nZ~.

The

strip

is

SW,,~ " ~'~,/D ~

~~'

(14)

0.316 1.023

Fig. 9. Frequency H of occurrence of rows K,,D

Parallel

to the fivefold axis (R) plotted i,eisus the

occupation

density L,,D (arbitrary units). Rows with a low occupation density appear

frequently.

6. Conclusion.

By

an

analysis

of cross-sections of the acceptance domain we have constructed the vertex

positions

on each

single plane

or row of a

quasilattice

as well as statistical data about the families. Prior to this work we had calculated the ion

backscattering profiles

for a

primitively

decorated Amman-Kramer-Penrose

quasilattice by

numerical simulation of the ion

trajectories

in a computer model

[2]. According

to the Lindhard

theory [6],

which describes ion

channeling

in

periodic crystals,

best

guidance

and hence lowest

backscattering

rates occur

by

the most

densely occupied planes.

In

figure10

we show an

angle

scan of the ion beam

along

the directions indicated in

figure

5. The

sharpest backscattering

minima indeed can be associated with the densest

planes.

Hence, Lindhard

theory

is at least

qualitatively applicable

and

channeling

is a valuable tool for the structural

analysis

of

quasicrystals.

~~

H L .I C'IL H L I C'.I L H

1.10

oo

o.90

0080

j

0. 70

(

0060

0050

j

00q0

j

0030

~ 0020

o. lo

o,oo

-sooo ,3000 -1.oo loco 3.oo s.oo

t~[°)

Fig. 10. Backscattering profile in heavy ion-channeling for an angular scan through the series of planes, whose normal vectors follow the sequence HLIC of points in figure 5. Densely occupied plane~

cause strong

channeling

and

yield

low

backscattering

rates. Details of the calculation are given in

reference [2].

(15)

References

[ii KRAMER P., NERI R., Acia Ciystallogr. A 40 (1984) 580.

[2] KUPKE T., PESCHKE U., CARSTANJEN H. D., TREBIN H.-R., Phys. Rev. B 43 (1991) 13758.

[3] CARSTANJEN H. D., EMRICK R. M., KUPKE T., PLACHKE D., WITTMANN R., TREBIN H.-R., Nat-I.

Instrum. Methods B 67 (1992) 173.

[4] KATz A., DUNEAU M., J. Phys. Franc-e 47 (1986) 181.

[5] DUNEAU M., KATz A., Phys. Ret'. Lent. 54 (1985) 2688.

[6] LINDHARD J., Kgl. Danske Videnskab Selskab, Mater. Phys. Medd. 34 (14) (1965).

[7] HOFFMANN S., TREBIN H.-R., Phys. Status Solidi (hi 174 (1992j 309.

[8] MACKAY A. L., Physic-a l14A (1982) 609.

[9] BARRETT J. H., 1971,

Phys.

Ret'. B 3 (197 Ii 1527.

[10] BAAKE M., KRAMER P., SCHLOTTMANN M., ZEIDLER D.,

Quasicrystals

and Incommensurate

Structures in Condensed Matter, M. J. Yacaman, D. Romeu, V. Castailo, A. G6mez (World Scientific, Singapore, 1990) p. 85.

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