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physica status solidi (a)
applied research

Volume 110 Number 2 December 1988

AKADEMIE-VERLAG BERLIN
VCH PUBLISHERS INC. • NEW YORK, N.Y.
ISSN 0031-8965 phys. stat. sol. (a), Berlin n o (1988) 2, 309—696, K61 — K116, Al3—A20
International Classification System for Physics'")
60. Condensed matter: structure, mechanical and thermal properties
61. Structure of liquids and solids; crystallography
(see also 68.20. Solid surface structure, 71. Electron states)
62. Mechanical and acoustical properties of condensed matter
(see also 61.70. Defects in crystals, 68.30. Surfaces and interfaces)
63. Lattice dynamics and crystal statistics
(see also 65. Thermal properties, 66.70. Thermal conduction, 68.30. Dynamics of surface and interface
vibrations, 78.30. Infrared and Raman spectra)
64. Equations of state, phase equilibria, and phase transitions
65. Thermal properties of condensed matter
(see also 63. Lattice dynamics; for thermodynamic properties of quantum fluids, see 67.40; for thermal
properties of solid helium, see 67.80)
66. Transport properties of condensed matter (nonelectronic)
67. Quantum fluids and solids; liquid and solid helium
68. Surfaces and interfaces; thin films and whiskers
(for impact phenomena, see 79; for crystal growth, see 61.50)
70. Condensed matter: electronic structure; electrical, magnetic, and optical properties
71. Electronic states
(see also 63. Lattice dynamics, 73. Electronic structure and electrical properties of surfaces, interfaces,
and thin films)
72. Electronic transport in condensed matter
(for surfaces, interfaces, and thin films, see 73)
73. Electronic and electrical properties of surfaces, interfaces, and thin films
74. Superconductivity
75. Magnetic properties and material^
76. Magnetic resonances and relaxation in condensed matter; Mossbauer effect
77. Dielectric properties and materials
(for conductivity phenomena, see 72.20 and 72.80)
78. Optical properties and condensed-matter spectroscopy and other interactions of matter with particles
and radiatipn
(for phonon spectra, see 63)
79. Electron and ion emission by liquids and solids; impact phenomena

85: "Devices**)

*) Excerpt; reproduced with permission of International Council for Scientific and Technical Information
(ICSTI).
**) Outside the ICSTI Classification for Physics.

(The Substance Classification is given on cover three)

 physica status solidi (a)
applied research

Board of E d i t o r s
S. A M E L I N C K X , Mol-Donk, J . AUTH, Berlin, H. BETHGE, Halle,
K. W. BÖER, Newark, E.GÜTSCHE, Berlin,
P. HAASE N, Göttingen, G. M. HATOYAMA, Tokyo, B. T. KOLOMIETS, Leningrad,
W. J . MERZ, Zürich, G. O. M Ü L L E R , Berlin, A. S E E G E R , Stuttgart,
S. SHIONOYA, Tokyo, C. M. VAN Y L I E T , Montréal, E. P. W O H L F A R T H f , London
Editor-in-Chief
E.GÜTSCHE

Advisory Board
L. N. ALEKSANDROV, Novosibirsk, W. ANDRÀ, Jena, H. B Ä S S L E R , Marburg,
E. BAUER, Clausthal-Zellerfeld, G.CHIAROTTI, Rom, H. C U R I E N , Paris,
R. GRIGOROVICI, Bucharest, J . H E Y D E N R E I C H , Halle,
F. B. H U M P H R E Y , Pasadena, A. A. K A M I N S K I I , Moskva, E. K L I E R , Praha,
Y. N A K A M U R A , Kyoto, J . NIHOUL, Mol, T. N. RHODIN, Ithaca, New York,
R. SIZMANN, München, J . S T U K E , Marburg, J . T. W A L L M A R K , Göteborg

Volume 110 • Number 2 • Pages 309 to 696, K61 to K116, and A13 to A20
December 16, 1988

AKADEMIE-VERLAG • BERLIN
and
VCH P U B L I S H E R S INC. • NEW YORK, N. Y.
For the USA and Canada:
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© 1988 by Akademie-Verlag Berlin.
Printed in the German Democratic Republic.
 phys. stat. sol. (a) 110, No. 2 (1988)

Contents

Original Papers and Short Notes

Structure; crystallography

G U O A N WTJ, Y U A N D A D O N G , K E Q I N X I A O , Y I Z H E N H E , L O N G S H U W A N G , a n d J I A Q I N G H E
An Investigation of Fast Neutron Irradiation Effects on the Structure of
Cu60Ti60 Metallic Glass 317

S. S. JIANG, Y . QIU, a n d G . S. GREEN

The Simulation of Modulated I 3 Fringes in an X-Ray Section Topograph of
a Stacking Fault 323

U . D . KULKARNI, S. MURALIDHAR, a n d S . B A N E R J E E
Computer Simulation of the Early Stages of Ordering in Ni-Mo Alloys . . 331

R . V . GOPALA R A O a n d R A T N A D A S
Structure Factor Computation of RbCl and RbBr 347

P . H . BEZIRGANYAK, V . G . ASLANYAN, a n d S. E . BEZIRGANYAN

Interpretation of Interference Patterns Obtained from X-Ray Laue Inter-
ferometers in Primary Plane Waves 359

T . SHIOZAWA a n d T . K O B A Y A S H I
High Resolution Electron Microscopic Study of Silver Sulfide Microcrystals
Formed on Silver Bromide Emulsion Grains 375

E . G. DONI a n d G. L . BLEBIS
Study of Special Triple Junctions and Faceted Boundaries by Means of the
CSL Model 383

Defects; nonelectronic transport

V . A . G A N S H I N , Y U . N . K O R K I S H K O , a n d T . V . MOROZOVA
Properties of Proton Exchanged Optical Waveguiding Layers in LiNbO s
and LiTa0 3 397

P . F . LUGAKOV a n d T . A . L U K A S H E V I C H
Peculiarities of Radiation Defect Accumulation under High-Flux y-Ray
and Electron Irradiation of Silicon 403

A . SERRA a n d N . DE DIEGO
Characterization of Defects in Deformed Titanium 409

X . M . X I E , T . G . CHEN, a n d J . HUANG
Diffusivity of Oxygen in the Orthorhombic YBa 2 Cu 3 O y Phase 415

R . B . MCLELLAN a n d M . L . WASZ
Carbon-Vacancy Interactions in B.C.C. Iron 421
21«
312 Contents

0 . V . A L E K S A N D R O V , V . V . K O Z L O V S K I I , V . V . P O P O V , a n d B . E . SAMORTTKOV
Diffusion of Impurities from Implanted Silicon Layers by Rapid Thermal
Annealing K61

Lattice properties

R . M I Z E R I S , J . G R I G A S , V . S A M U L I O N I S , V . S K R I T S K I , A . I . BARANOV, a n d L . A . SHUVALOV
Microwave and Ultrasonic Investigations of Superionic Phase Transitions
in CsDS0 4 and CsDSe0 4 429
M . CZAJKOWSKI, M . DROZDOWSKI, a n d M . KOZIELSKI
Propagation of Plane Elastic Waves in LiCsS0 4 Single Crystals 437
L . J . HUANG, E . MA, a n d B . X . L I U
The Band Structure and the Anomalous Alloying Behavior of Noble Metal
Based Systems 443
H . - A . K U H N a n d H . G . SOCKEL
Comparison between Experimental Determination and Calculation of
Elastic Properties of Nickel-Base Superalloys between 25 and 1200 °C . . 449
H . H E M P E L , H . M A A C K , a n d G . SORGE
Ferroelastic Phase Transition in LiRb 4 H(S0 4 ) 3 • H 2 S0 4 . Landau-Theory
and Experimental Results 459
A . K . GARG High-Pressure Raman Spectroscopic Study of the Ice Ih ->• Ice I X Phase
Transition 467
G . GRAISS, G . SAAD, a n d A . F A W Z Y
Effect of Loading on the Recovery of Internal Friction of an Al-1.0 w t %
Mn-0.28 w t % Fe Alloy 481
XINGZHAO D I N G a n d Y I Z H E N HE
A Study of Structural Relaxation in Glassy Pd 7 ,. 5 Cu 6 , 0 Si 16 . 5 by Micro-
calorimetric Measurements K67

R. POFRAWSKI Comments on the Results of Dilatometrie Studies of NH 4 HSe0 4 Crystals K73

Surfaces, interfaces, thin films; lower-dimensional systems

Y x r . B . BOLKHOVITYANOV, R . I . B O L K H O V I T Y ANOVA, T . A . GAVRILOVA, a n d A . E . D O L B A K

Relaxation Kinetics of a Non-Equilibrium Interface of a Multicomponent
Liquid Phase-Binary Substrate on the Example of In-Ga-As/InAs System 489

P . MROZEK, M . M E N Y H A R D , A . JABIXJIÌSKI, a n d G . T Y U L I E V
Surface Composition of the Ordered Fe-Co Alloys 495

E . MA a n d M - A . NICOLET
Pt 2 Al 3 Formation on Evaporated and Large-Grained Al Substrates . . . 509
E R - W A N G M A O , W E N - Q I N Z H A O , HONG-RTTI Z H A N G , A I - Z H E N L I , J I A N - M I N C H E N , a n d G T O - P I N G
FANG The Influence of Strain and Dislocations on Transport Properties of GaAs/Si
Strained-Layer Heterojunctions 515
J . C . B E R N È D E , G . SAFOULA, A . AMEZIANE, a n d P . BTOGAUD
Experimental Study of Oxygen Effect on the Variation of Resistivity with
Temperature for Poly crystalline Selenium Thin Films 521
Contents 313

D . V . MORGAN, H . T H O M A S , W . T . A N D E R S O N , P . T H O M P S O N , A . CHRISTOTJ, a n d D . J . D I S K E T T
High Temperature Metallisation for GaAs Device Processing 531

H . KRAUSE a n d H . - P . BAB
Charge Injection into Si0 2 Films at Fields between 1 and 3 MV c m - 1 after
Electrical Stress 537

G . HORVATH a n d J . BANKITTI
Resistivity Increase in Thin Conducting Films Considering the Size Effect 549

H . KRAUTZ, CH. WENZEL, K . BORNKESSEL, a n d G . BLASEK

Barrier Behaviour of TiW between Copper and Aluminium K77

R . K L A B E S , A . THOMAS, a n d G . K L U G E
Utilization of Ag:GeSe 2 Films as Inorganic Positive Resist K81

Electronic transport; superconductivity

J . K . POZELA, Z . N . TAMASEVICIENE, A . V . TAMAIEVICIUS, J . K . ULBIKAS, a n d G. V . BAN-

DUBKINA Self-Generated Chaos in n-Ge After Electron Irradiation 555

J . PELLEGRINO a n d J . M . GALLIGAN
The Photoplastic Effect in I I - V I Compounds. Mercury Cadmium Telluride 565

S. M . WASIM a n d J . G . ALBORN6Z
Electrical and Optical Properties of n- and p-Type CuInTe, 575

F . P O M E R a n d J . NAVASQUILLO
A Method for Measuring the Resistivity of a Layered Semiconductor Per-
pendicular to the Layers 585

R . SWIETLIK, G . MIHALY, a n d P . DELHAES

Microwave Conductivity and Thermoelectric Power of Some Ternary Salts
of TCNQ and Iodine 593

C. S . S U N AND AN A
On the Normal-State Electrical Resistivity of YBa 2 Cu 3 0 7 and Other Oxide
Superconductors K85

H U I M I N SHAO, H U A Q I N W A N G , YUANFTJ H S I A , RONGCHUAN L I U , a n d X I N J I N

Tetragonal-to-Orthorhombic Phase Transition of Fe-Substituted YBa 2 Cu 3 0 7 K.89

A . K . PRADHAN, P . C. JANA, a n d B . K . ROUL

Bismuth Strontium Calcium Copper Oxide High-T c Superconductors from
Nitrate Solutions K93

Magnetic properties; resonances

A . CZOPNIK, H . MADGE, R . POTT, a n d B . STALINSKI

Thermal Properties of Ndln 3 . . 601
314 Contents

A . STESMANS a n d G . DE VOS
52
MgO Powder Containing Low Concentrations of Isotopically Pure Cr 3+
Ions. Its Application as ESR Marker 615

C. H . WESTPHAL a n d C. C. BECERRA
Magnetic Transitions in Mni_aNi I (HCOO) 2 • 2 H 2 0 K97

Dielectric and optical properties

G . A . M E D V E D K I K , Y U . V . RTTD, a n d M . A . T A I R O V
Fundamental Optical Absorption Edge in MnGa2Te4 Single Crystals . . . 631

M . Y U D A S A K A , M . T A N A K A , Y . K U W A E , K . N A K A N I S H I , a n d S . KTTRITA
Uniaxial Stress-Effect on Visible and Near-Infrared Absorption Spectra of
Si(phthalocyaninato)(OH) 2 Epitaxial Films 645

A. GHOSH Fundamental Absorption Edge in Bismuth-Vanadate Glasses 651

R . E W E R T O W S K I , A . B A R A N O W S K I , a n d W . ¡SWIATKOWSKI
Positron Trapping at Ag/Na 3 AlF 6 Interface; Life-Time Measurements . . K101

A . N . GURYANOV, E . M . DIANOV, V . M . K I M , V . M . MASHINSKII, V . B . NEITSTRTTEV, V . A . T I K H O -

MIROV, a n d V . F . K H O P I N
UV and y-Induced Paramagnetic Colour Centres in Germanium-Doped
Silica Glass K107

M . G . KAPLUNOV, N . D . KUSHCH, a n d E . B . YAGUBSKII

Optical Properties of the New Organic Superconductor
(BEDT-TTF) 2 CU(SCN)2 Kill

Device-related phenomena

G . O . M Ü L L E R , R . MACH, B . S E L L E , a n d G . SCHULZ
Measuring on Thin Film Electroluminescent Devices 657

R . S . G U P T A , C . J A G A D I S H , G . S . C H I L A N A , a n d G . P . SRIVASTAVA
A Method to Determine Surface Doping and Substrate Doping Profile of
n-Channel MOSFETs 671

H . OHYAMA a n d K . NEMOTO
Recovery Mechanism of Lattice Defects Formed in the Collector Region for
Electron-Irradiated npn Si Transistors 677

G . GRUMMT, J . TOUSEK, a n d B . TRYZNA

Transients in p+7tn+ Photodiodes 687

Pre-Priiited Titles

of papers to be published in the next issues of physica status solidi (a) and physica status
solidi(b) A13

physica status solidi (a) is indexed in Current Contents/Physical, Chemical & Earth Sciences.
Contents 315

Systematic List

Subject classification: Corresponding papers begin on the following pages (pages given in
italics refer to the principle subject classification):
61.10 323, 359, 397
61.16 375, 383
61.25 347
61.40 317
61.55 331
61.60 375
61.70 323, 383, 397, 409, 421, 565, 615, 677, K61
61.80 403, 531
62.20 449
62.30 437
62.40 481
62.50 467
62.65 429
63.20 437
64.70 317, 429, 459, 467, K67, K73, K89
64.75 443
65.50 K67
66.30 415, K61
68.20 495
68.45 489
68.48 509, K77
68.55 489,509
68.60 K81
71.25 443
71.38 Kill
71.55 555, 575
72.20 555, 565, 575, 585, 593
72.40 631
72.80 403
73.40 515, 531, 537, 657, 671, 677, 687
73.60 521, 537, 549
74.70 K85, K89, K93
75.40 601
75.50 K97
76.30 615, K107
77.20 429
77.80 459, K73
78.20 397, 575, 631, 651
78.30 467, 515, Kill
78.50 K107
78.60 657
78.65 645
78.70 409, K101
79.20 495
85 657, 671, 677, 687
316 Contents

51.1 421, 495

51.2 317, 331, 409, 449, 495, K.77, K97
51.3 443, K67
51.4 601
SI.61 531
SI.63 375
54 481, 509, 531, K77, K101
55 323, 521
55.1 1 403, 515, 677, K61
55.1 2 555
S7.12 489, 515, 531
58 521, K81
S8.ll 657
58.1 5 565
58.16 575, 631
59 375, K101
S9.ll 347
510 415, 467
S10.1 537, 615
S10.15 651, K85, K89, K93, K107
511 459
SI 1.1 397, 429, 437, K73
512 645, Kill
S12.1 593

The Author Index of Volume 1 1 0 Begins on Page 697

(It will be delivered together with Volume 111, Number 1.)

 Original Papers
phys. stat. sol. (a) 110, 317 (1988)
Subject classification: 61.40; 64.70; SI.2

South West Centre for Reactor Engineering Research and Design, Chengdu (a),
Institute of Solid State Physics, Academia Sinica, Hefei1) (b),
and Microstructure Research Centre, Academia Sinica, Chengdu2) (c)

An Investigation of Fast Neutron Irradiation Effects

on the Structure of Cu5oTi50 Metallic Glass
By
G u o AN W U ( a ) , Y U A N DA D O N G ( b ) , K E Q I N X I A O ( b ) , Y I Z H E N H E ( b ) ,
L O N G S H U W A N G (C), a n d J I A Q I N G H E (C)

The effect of irradiation on the atomic structure of a Cu50Ti50 metallic glass is investigated by
X-ray diffraction. The irradiation is seen to produce significant changes in the structure factor
S(Q) of this glass, and the changes observed are quite opposite to those caused by low-temperature
annealing. Changes are also observed in the reduced radial distribution function G(r). All these
changes are finally discussed in conjunction with the topological short range ordering (TSRO)
and chemical short range ordering (CSRO) of the metallic glass.
Bestrahlungseffekte infolge Röntgenbeugung auf die atomare Struktur von metallischen Cu^Ti^-
Glas werden untersucht. Die Bestrahlung ruft signifikante Änderungen des Strukturfaktors S(Q)
dieses Glases hervor und die beobachteten Änderungen stehen im völligen Gegensatz zu denen der
Niedertemperaturausheilung. Änderungen werden auch für die reduzierte radiale Verteilungsfunk-
tion 0(r) beobachtet. Alle diese Änderungen werden im Zusammenhang mit der topologischen
Nahordnung (TSRO) und der chemischen Nahordnung (CSRO) der Metallgläser diskutiert.

1. Introduction
There has been a significant growth of interest in the study of irradiation effects on
metallic glasses in recent years as, in terms of technology, there is some hope for the
use of metallic glasses as device and structural materials in nuclear reactors. A few
investigations have been devoted to neutron radiation effects on their physical
properties, such as crystallization behaviour [1, 2], Young's modulus [2], electrical
resistivity [3], and ductility [4] and atomic structure, such as structure factors [5, 6]
and microscopic morphology [2, 7], and very interesting results have been obtained.
However, the interpretation of these measurements is not always without difficulty,
because the changes in short-range and medium-range orders induced by irradiation,
which might be fundamental to an understanding of some of the properties, are still
practically unknown. On the other hand, Fukunaga et al. [8] and Sakata et al. [9]
studied systematically the structure of Cu-Ti metallic glasses using X-ray and neutron
diffraction techniques and gave a picture of the chemical short-range order (CSRO)
for Cu50Ti50. On this basis, we undertake the study of neutron irradiation effects on
the structure of Cu50Ti50 metallic glass by means of X-ray diffraction for comparison
as an attempt to cast fresh light on clarifying the irradiation effects.
The present paper gives a description of the experimental work of resulting struc-
ture factors and reduced radial distribution functions, and discusses the local atomic
structure of the Cu50Ti50 glass on the basis of these results.
J
) Hefei, People's Republic of China.
2
) Chengdu, People's Republic of China.
318 GUOAN W U , Y U A N D A DONG, K E Q I N X I A O , Y I Z H E N H E , LONGSHU WANG, a n d JIAQING H E

2. Experimental
A master ingot of composition Cu^Tigg was prepared by vacuum induction melting
of pure Cu (99.99%) and Ti (99.5%). Weight loss on melting was negligible. The
alloy was conventionally melt-spun on to a copper wheel to produce metallic glass
ribbons approximately 3 mm wide and 30 ¡i.m thick. The absence of crystallization
was confirmed by X-ray diffraction.
The samples were sealed in aluminium cans, filled with water to conduct away the
heat generated by radiation. The cans were placed in a hole inside the high flux
engineering testing reactor (HFETR), located in the South West Centre for Reactor
Engineering Research and Design of China. After one week irradiation, the estimated
fast neutron fluence and displacement per atom were about 2.5 x 1019 neutrons/cm2
(E > 1 MeV) and 0.04, respectively. The sample temperature throughout irradiation
was kept below 320 K . After waiting for radioactivity to die down to acceptable
levels, samples were then taken out from the cans for further measurements.
X-ray diffraction experiments were performed using a Rigaku D/Mas-rA diffracto-
meter in conjunction with a molybdenum target and a graphite curved crystal
monochromator. A range of scattering angles 5° < 20 <C 135° was covered in 0.5°
steps with a pre-set time of 40 s per step. The data were processed using an extensively
modified version of a computer program by Wagner [10]. The structure factors S(Q)
obtained for the unirradiated and irradiated specimens are shown in Fig. 1.

Table 1
The position of peaks in the structure factors for Cu^Ti^ metallic glass before and after
irradiation, Qv Q2, etc. are given with corresponding peak position in 0(r)s rv r2, etc.
The width of the first peaks in 8(Q) is described by AQ1

peak positions in 8{Q) coordination distances in 0(r)

sample state (nm" 1 ) (nm)

Qx Qz Q, AG, »il rl2 »21 »22

unirradiated 29.2 50.0 59.0 4.00 0.263 - 0.450 0.520

irradiated 29.0 49.5 58.0 4.80 0.257 0.270 to 0.290 0.450 0.525
Fast Neutron Irradiation Effects on the Structure of Cu^Ti^ Glass 319

Pig. 2. a) The reduced radial distribution function 0(r) curves for Cu50Ti50 metallic glass. The solid
line is for the specimen before irradiation and the dashed line is for the same glass after irradiation,
b) The first peak of the G(r) curve on a finer r scale

3. Results
It can be seen from Fig. 1 that the S(Q) curves obtained before and after irradiation
are rather similar. From a comparison of the curves in Fig. 1 it follows that the struc-
ture factor of the unirradiated specimen shows characteristic features common to
most metallic glasses, namely a sharp first peak, and a second peak with a shoulder
on the high Q side and well developed oscillations out to Qmax. The structure factor
of the irradiated specimen shows the same basic features, but the height of the first
peak is noticeably reduced by about 8%, and its position is shifted to a slightly
lower Q value. The subsequent peaks in S(Q) are also slightly reduced, but their
positions in Q remain roughly unchanged, while the second peak shoulder becomes
less distinct. A quantitative description of these changes is given in Table 1. In general,
the changes in peak height are consistent with those observed by Itoh et al. [5].
The changes of structure in real space, as expressed by G(r) curves which are the
Fourier transforms of the structure factors 8(Q), are of a nature rather similar to the
changes in 8(Q). This is illustrated by Fig. 2 a. The irradiation is seen to cause a
slight reduction in the magnitude of the oscillations in G(r) and to cause a noticeable
reduction in height and a broadening of the first peak. The G(r)s in Fig. 2 b are the
Fourier transforms of S(Q) on a finer r scale than those shown in Fig. 2 a. Table 1
gives some numerical values of the G(r) parameters.
One interesting point is that the irradiation appears to have an exactly opposite
effect on the structure to that produced by low-temperature annealing. Both X-ray
[11] and neutron [12] diffraction experiments show that annealing produces an
increase in the peak heights and a general sharpening of the features in S(Q).

4. Diseussion
For an unirradiated Cu^Tigo specimen the average nearest neighbour distance was
found to be r t = 0.263 nm. According to the Faber-Ziman relation, the total reduced
radial distribution function G(r) can be expressed in terms of the three partial pair
320 GuoAN W U , Y U A N D A DONG, K E Q I N X I A O , Y I Z H E N H E , LONGSHTJ W A N G , and JIAQING H E

correlation functions in X - r a y diffraction as follows:

G(r) = 0.323 GCaUr) + 0.491 G W n M + 0.186 GTm(r) , (1)
strictly a t Q = 0. From t h e weighting factors it follows t h a t t h e contribution of t h e
Ti-Ti correlation function is small. F r o m this and from the f a c t t h a t t h e atomic
diameter of t i t a n i u m is larger t h a n t h a t of copper we conclude t h a t t h e first peak of
t h e unirradiated Cu 50 Ti 50 specimen consists of an average of Cu-Cu and Cu-Ti neigh-
bours. After irradiation t h e first peak splits into a main peak, positioned a t r =
= 0.257 nm, and a shoulder ranging from 0.270 to 0.290 nm. From t h e known Gold-
schmidt radii one can assume t h a t Cu-Cu correlations contribute t o t h e main peak,
while Cu-Ti and Ti-Ti correlations contribute to the shoulder.
F u k u n a g a et al. [8] studied the structure of Cu 50 Ti 50 metallic glass by pulsed
neutron scattering and obtained the correlation distances for this alloy. They con-
cluded t h a t t h e atomic arrangement of Cu 50 Ti 60 alloy glass is similar to t h e CSRO
in the crystalline Cu 50 Ti 50 compound (y-CuTi type). I t is of interest to know whether
t h e CSRO in Cu 50 Ti 50 metallic glass changes after irradiation. Our observations suggest
t h a t after irradiation t h e CSRO in Cu 50 Ti 50 is closer to crystalline y-CuTi t h a n t h e
CSRO before irradiation.
I t o h et al. [5] and K a y a n o et al. [2] studied t h e neutron effects on t h e structure of
MoSi and PdSi metallic glasses and held t h a t , due t o t h e destruction of t h e short-
range order by neutron irradiation, the atomic structure of metallic glasses is changed
t o a more random state. This is also t h e case in our experiments.
I n Fig. 1 it can be seen t h a t t h e widths of the first peaks in S(Q) before and a f t e r
irradiation are different. The correlation length f of t h e topological short-range
ordering (TSRO) can be calculated from t h e width AQ according to t h e formula [13]

l5 = — . ((2)
AQ- '

W i t h the experimental d a t a from Table 1 we obtain t h e correlation length ~

« 1.6 n m for t h e unirradiated specimen, and « 1.3 n m for t h e irradiated
specimen. The means t h a t t h e range of correlation in an irradiated Cu 50 Ti 50 glass is
smaller t h a n t h a t in an unirradiated Cu 50 Ti 50 glass. I t suggests t h a t irradiation induces
topologically atomic rearrangements t h a t diminish t h e order in the unirradiated glass.
This point is confirmed b y t h e fact t h a t t h e heights of t h e first and second peaks in
S(Q) are reduced and the positions of the two peaks in S(Q) are slightly shifted towards
lower Q values after irradiation. We believe t h a t it is this t y p e of change in T S R O
t h a t is responsible for t h e retardation of crystallization [14] and an increase in internal
friction [15] a t t h e crystallization t e m p e r a t u r e in Cu 50 Ti 50 metallic glass.
After calculating t h e probabilities for cascades containing a certain n u m b e r of
displaced atoms, Gerling and Wagner [7] pointed out t h a t most of the fast neutron
induced damage cascades contain more t h a n ten displaced atoms; almost 3 9 % of t h e
damage cascades even consist of more t h a n h u n d r e d displaced atoms. According t o
this view, we m a y suggest t h a t t h e rearrangement of atoms in irradiated Cu 50 Ti 50
metallic glass in our experiments involves an extended region. As a result t h e CSRO
and T S R O would be altered.

5. Conclusion
X - r a y diffraction experiments have been m a d e on specimens of Cu 50 Ti 50 metallic
glass before and after irradiation in order to study t h e n a t u r e of the structural changes
produced b y irradiation. Irradiation appears to cause significant changes in t h e
Fast Neutron Irradiation Effects on the Structure of C u ^ T i ^ Glass 321

structure factors. The changes observed are opposite to those caused by low-temper-
ature annealing. These facts indicate that the irradiated specimens suffer an increase
in structural disorder. The reduced radial distribution functions G(r) are obtained
by Fourier transformation of the structure factors. The changes in the radial distri-
bution function G(r) show that the irradiation enhances the chemical short-range
order.

Acknowledgements
The authors would like to thank Zihou Zhao and Liangyou He for their assistance in
sample irradiation arrangement and irradiated sample handling.

References
[1] J . W E I S and I . CERVEN, phys. stat. sol. (a) 7 6 , K 4 9 ( 1 9 8 3 ) .
[ 2 ] H . K A Y A N O , T . MASUMOTO, S. TOMIZAWA, and, S. Y A J I M A , Sci. Rep. Res. Inst. Tóhoku Univ.
26, 2 4 0 (1977).
[3] S. TAKAMUBA and M. KOBIGAMA, Radiat. Eff. 86, 43 (1984).
[ 4 ] R . GERLING, P . SCHIMANSKI, and R . WAGNER, Acta metall. 3 5 , 1001 (1987).
[ 5 ] F . ITOH, S. IKEDA, M . I K E B E , M . HASEGAWA, T . HONDA, T . FUKUNAGA, H . FUJIMORI, and
K . STJZTJKI, Proc. 4 t h Internai. Conf. Rapidly Quenched Metals, 1982 (p. 763).
[6] K . Doi, Proc. 4th. Internai. Conf. Rapidly Quenched Metals, 1982 (p. 339).
[7] R . G E R L I N G and R. W A G N E R , Proc. 4 t h Internai. Conf. Rapidly Quenched Metals, J a p .
Inst, of Metals, Sendai 1982 (p. 767).
[8] T . F U K U N A G A , K . K A I , M. N A K A , N . W A T A N A B E , and K . S U Z U K I , Proc. 4 t h I n t e r n a i . Conf.
Rapidly Quenched Metals, 1982 (p. 347).
[9] M. S A K A T A , N. COWLAM, and H . A. D A V I E S , Proc. 4th Internat. Conf. Rapidly Quenched
Metals, J a p . Inst, of Metals, Sendai 1982 (p. 347).
[10] C . N. J . W A G N E R , Tech. Rep. Nat. Sci. Foundation Grant G L 3 2 1 3 ( 1 9 6 8 ) .
[11] T. E G A M I , J . appi. Phys. 50, 1564 (1979).
[12] N . COWLAM, K . D I N I , and H . A . D A V I E S , Metallic Glasses: Science and Technology, K u l t u r a ,
Budapest 1981 (p. 267).
[13] E. N A S S I F , P. L A M P A R T E R , W. S P E R L , a n d S . S T E E B , Z. Naturf. 38a, 142 (1983).
[ 1 4 ] DONG Y U A N D A , W U GUOAN, CHENG LIFANG, X I A O K E Q I N , L I XIAOGUANG, Z H U ZHAOQIN, a n d
H E YIZHEN, Chinese Phys. Letters 12, 541 (1987).
[ 1 5 ] DONG YUANDA, W U GUOAN, XIAO K E Q I N , L I XIAOGUANG, and H E YIZHEN, J . appi. Phys.,
to be published.
(Received February 12, 1988 ; in revised form August 19, 1988)
 S. S. JIANG et al.: Simulation of Modulated I z Fringes 323

phys. stat. sol. (a) 110, 323 (1988)

Subject classification: 61.10; 61.70; S5

Laboratory of Solid State Microstructure, Nanjing University1)

The Simulation of Modulated h Fringes

in an X-Ray Section Topograph of a Stacking Fault
By
S. S. JIAITG, Y. QIU, and G. S. GREEN2)

Computer simulations are performed of the fading phenomena visible in the fringe systems of
a section topograph image of a stacking fault obtained with an unpolarized incident X-ray beam.
Periodic fading of the I 3 fringes is seen in a section topograph of a stacking fault in an otherwise
nearly perfect diamond taken under high absorption conditions. Simulations based on dynamical
diffraction theory are performed separately for the a and 71 polarization states. The image formed
by the superposition of these( simulations also shows I 3 fringe modulation, and is in excellent
agreement with the experiment.
Für das Schwundphänomen in den Streifensystemen des Sektionstopographdiagramms eines
Stapelfehlers mit einem unpolarisiert einfallenden Röntgenstrahl werden Computersimulationen
durchgeführt. Periodisches Schwinden der J 3 -Streifen wird in einer Sektionstopographie eines
Stapelfehlers in einem sonst nahezu perfekten Diamant unter Hochabsorptionsbedingungen beob-
achtet. Simulationen auf der Grundlage der dynamischen Beugungstheorie werden getrennt für
a- und 7r-Polarisationszustände durchgeführt. Das durch Überlagerung dieser Simulationen gebil-
dete Diagramm zeigt ebenfalls / 3 -Streifenmodulation und befindet sich in ausgezeichneter Über-
einstimmung mit dem Experiment.

1. Introduction
The fringe pattern in an X-ray section topograph of a stacking fault is complicated
in comparison to that produced by transmission electron microscopy. These complica-
tions are due to several factors: the spherical wave nature of the incident X-ray beam
under usual experimental conditions combined with the greater specimen thickness
and larger Bragg angles, and the possibility of polarization effects in the X-ray case.
The image contrast was first analyzed by Kato et al. [1] for the zero absorption case.
Authier [2] later developed the theory for an absorbing crystal. The experimental
dynamical image of a stacking fault in dolomite was reported by Authier [3], and the
theoretical analysis was confirmed by Wonsiewicz and Patel [4] using computer
simulations. Both K0 and Kh high resolution images of a stacking fault in natural
diamond were obtained by Jiang and Lang [5], who demonstrated that the nature
of the stacking fault may be determined from the contrast of the first / 3 fringes in
both types of image. The closely related dynamical images of Brazil twin boundaries
in natural quartz have been investigated by Yang et al. [6], who also studied both
K0 and Kh images.
The periodic modulation of pendellösung fringes can be interpreted in terms of the
dynamical theory of X-ray diffraction by taking the unpolarized nature of the
incident X-ray beam into account [7 to 9]. For a crystal containing a stacking fault,
!) Nanjing, People's Republic of China.
2
) Permanent address: Department of Physics, University of Durham, South Road, Durham
DH1 3LE, Great Britain.
324 S . S . JIANG, Y . QIU, a n d G. S . GREEN

fringe fading phenomena have been observed by section topography [5], but were not
simulated at t h a t time. Kowalski and Lang [10] later performed simulations which
included the polarization effect for low absorption conditions. In this paper, simula-
tions of the image of a stacking fault in a diamond crystal which take polarization
into account are presented for the high absorption case, where the I 3 fringes are
predominant. The modulated fringe pattern thereby produced is compared to t h a t
in the experimental section topographs obtained previously.

2. Brief Summary of the Theory

Based upon the spherical wave theory of pendellosung interference in perfect crystals
developed by K a t o [11], the contrast of a stacking fault fringe pattern was first
calculated by K a t o et al. [1]. Authier [2] developed the analysis to consider explicitly
the effect of absorption.
I n the general case shown schematically in Fig. 1, a spherical wave is incident
upon the specimen at the point A. The whole dispersion surface is therefore excited,
and directions of energy flow from A fill the triangle BAC. The wave field which
propagates in a given direction is formed from t h e interference of two waves, cor-
responding to a conjugate pair of tie points on the two branches of the dispersion
surface.
The crystal is split into two regions by a stacking fault which intersects the plane
of incidence along the line BjC^. The ray AQ is a typical wave field propagating in
region I of the crystal. At the fault plane, inter branch scattering occurs, resulting in
the creation of a new wave field QP, while QO contains the fraction of energy in AQ
not scattered by the stacking fault. The image at the point P is therefore due to the
interference between the new wave field QP and the unscattered wave field AP. I n
an otherwise perfect crystal, all the new wave fields formed by interbranch scattering
a t the stacking fault are brought to a focus at the point A', which is a corner of the
parallelogram ABjA'C^.
If the stacking fault is inclined within the crystal in such a way t h a t it intersects
both entrance and exit surfaces, it is clear from the geometry t h a t there will exist
a plane of incidence in which the focus of the new wave fields, A', lies on the exit
surface, thus giving rise to the characteristic hour-glass shape of the section topo-
graph image.

Fig. 1. Paths of the X-ray wave fields in a single plane

of incidence
The Simulation of Modulated I 3 Fringes in an X-Ray Section Topograph 325

Fig. 2. The formation of the fringe patterns in the

crystal

\ I

The formation of interference fringes in the stacking fault image is shown in Fig. 2.
The hyperbolae shown, extending throughout the whole crystal, are lines of constant
phase for the old wave fields which are not scattered by the fault. The hyperbolae
which lie within the triangle BjA'C^ in region I I of the crystal represent the fringe
system of the new wave fields created by interbranch scattering at the fault. The thick
lines in region I I of the crystal represent the fringes due to interference between the
old and new wave fields.
The intensity at a point along BC on the exit surface may be written as / = +
+ h +
where
Ii = /p(l - A sin 2 i Ô) ,
I2= B sin 2 i Ô ,
I3 = C sin 2 i ô + D sin ô .
5 is the phase shift introduced when a wave crosses the fault and 7 p is the intensity of
a perfect crystal. I 1 is the term due to the old wave fields and is the same as that of
a perfect crystal, but reduced by the factor ( 1 — 4 sin 2 \ 3). I 2 is due to interference
between new interbranch scattered waves, and / 3 is due to interference between the
old and new wave fields. Complete expressions for A, B, C, and D are given by Authier
[2].
The relative magnitude of these constants is dependent on the absorption. In
particular, D is zero in the case of zero absorption and the intensity I1 is usually
quite low. Under conditions of low absorption, the stacking fault image is dominated
by the I2 fringes, whereas when absorption is high, D is relatively large and the I3
fringes predominate.
Under usual experimental conditions in the laboratory, the incident X-ray beam
is unpolarized. It therefore contains two components, with the electric field vector
22 physica (a) 110/2
326 S . S . JIANG, Y . QITX, a n d G . S . G R E E N

lying perpendicular to or within the plane of incidence. The extinction distance of

pendellosung fringes is given by

. to)1/2

where y0 = s0 • n e and y>n = sh • ne, ne is the unit vector normal to the entrance surface,
s 0 and sh are unit vectors in the directions K0 and Kh> respectively, K = 1//1, and the
polarization factor P is given by
P = 1 (a polarization) ,
P = | cos 20 b | (rc polarization) .

Clearly the extinction distances for the a and iz polarization states are different,
leading to the possibility of observing fading phenomena due to beating between
the two interference fringe systems.

3. Results

The stacking fault fringe patterns observed in high resolution X-ray section topo-
graphs have been described previously [5]. Simulations were presented of the images
observed in the low absorption cases using AgK a and MoK a radiation. In both cases
the Bragg angle for the 111 reflection studied is small, so the simulations were perform-
ed using a mean value for the polarization factor. For this reason they did not show
the periodic fading of the / 2 fringes observed experimentally. Kowalski and Lang
[10] have since produced a simulation of an image taken with MoK a radiation which
takes the polarization effect into account. The fading of the / 2 fringes in the simulation
is in good agreement with the experiment.
The image under consideration here is that of the asymmetric 111 reflection taken
using CuK a radiation. The sample is a nearly perfect natural diamond cut and polished
on <001) surfaces to form a plate 1013 [xm thick, so that fit = 1.5, which represents
a moderately high absorption condition. The Bragg angle in this case is 21.9° and so,
using the following value for the Fourier component of the susceptibility,

Xn = 8.27 x 10-« + i 2.774 X 10~ 8 ,

the extinction distances for the a and iz polarization states are found to be
= 16.3 ¡¿m and = 22.6 fim .
The difference between these extinction distances is considerable, leading to fading
of the interference fringes over a short period. In order to produce an accurate simula-
tion of the image, it is clearly necessary to calculate both a and TU components sepa-
rately.
The simulations for the two polarization states are shown in Fig. 3. They are photo-
graphs of dot matrix prints produced on an I B M PC-AT with an M2024 printer using
the TOPEMP3 program developed by Dr. Y . Epelboin. The simulations are 480 points
wide, representing a resolution of 1.5 [xm between pixels on the topograph image.
Fig. 4 a shows the image obtained by combining the intensities of the simulations for
the two polarization states. I t should be compared with the corresponding exper-
imental topograph which is shown in Fig. 4 b .
The top half of the experimental image does not form a triangle whose width fills
the image, as in the simulation. This is because the stacking fault does not completely
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