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DIFFRACTION
II:
4-1 Introduction.
unit
cell affect
That
this
in Fig. 4-1.
unit
cell,
Ftg. 4-2.
shown
lattice
in (a),
is
can eliminate a reflection completely. More generally, the inbeam is changed, not necessarily to zero, by any
in
atomic
change
positions, and, conversely, we can only determine atomic
unit
cell
tensity of a diffracted
and we
will
scattered
first
,$
FIG. 4-1.
(a)
(b)
(a)
cells.
SCATTERING BY AN ELECTRON
4-2]
105
(b)
(a)
FIG. 4-2.
Diffraction from the (001) planes of
centered orthorhombir lattices.
We
(a)
atoms
powder pattern
line,
we
which
way
in
affect the
will
beam
Wow
We
phenoinejionjn
tube, where x-rays are emitted because of the rapid deceleration of the
electrons striking the target.
Similarly, an electron which has been set
into oscillation by an x-ray beam is continuously accelerating and decelerating during its motion and therefore emits an electromagnetic, .wjave.
In this sense, an electron is said to scatter x-rays, the scattered beam being
simply ITie beam radiated by the electron under the action of the incident
beam. The scattered beam has the same wavelength and frequency as
the incident beam and is said to be coherent with it, since there is a definite
relationship T>etwee7fT1ie "phase of lite scattereHbeam anJTEat of the inci"""'
denFfieam which produced it. \
Although x-rays are scattered in all directions by an electron, the intensity of the scattered beam depends on the angle of scattering, in a way
which was first worked out by J. J. Thomson. He found that the intensity
/ of the beam scattered by a single electron of charge e and mass m, at a
^stance
is
given by
sin
a,
(4-1)
DIFFRACTION
106
II
[CHAP. 4
Ox
tion
On
E,
is
perfectly
random.
2
E, =
The
E z2 =
two components
intensity of these
E2
of the incident
beam
is
proportional
Therefore
amplitude.
IQ V
The y component
P is found
of the incident
2^0-
beam
direction Oy.
at
IQ Z
r ra c
since
ponent
since
= ^yOP =
is
w/2.
com-
given by
r/2
summing the
20.
The
=
=
Ip v
e
Ip z
-r-r-r (7o
r'm'c'
e
=
r
is
intensities of these
IP
//o
2 4
hz
/o
-^
\2
^V
cos 20)
2o
cos 2^
+ cos2
\
)
obtained by
SCATTERING BY AN ELECTRON
4-2]
107
\
before impact
after impart
Coherent scattering
FIG. 4-3.
FIG. 4-4.
of x-
This
the
is
Thomson equation
single electron.
e, r,
effect).
an x-ray beam by a
m, and c are inserted
into this equation, it will be found that the intensity of the scattered beam
The equais only a minute fraction of the intensity of the incident beam.
tion also shows that the scattered intensity decreases as the inverse square
of the distance
the scattered
beam
The Thomson equation gives the absolute intensity (in ergs/sq cm/sec)
beam in terms of the absolute intensity of the incident
of the scattered
These absolute
beam.
to calculate, so
it
is
intensities are
both
difficult to
measure and
difficult
use
it
beam
diffracted
by a
crystalline powder.
There
x-rays,
is
and that
photon
DIFFRACTION
108
II!
[CHAP. 4
The wavelength
after impact is less than its energy hv\ before impact.
X 2 of the scattered radiation is thus slightly greater than the wavelength
Xi of the incident beam, the magnitude of the change being given by the
equation
The
backward
direction (20
Radiation so scattered
sides
having
its
180).
is
called
Compton modified
wavelength increased,
it
its
because
phase
only randomly
dent beam and cannot therefore produce any interference effects. Compton modified scattering cannot be prevented, however, and it has the
in diffraction
its
is
wave theory
is
only
applicable to the former. In terms of the quantum theory, coherent scattering occurs when an incident photon bounces off an electron which is so
tightly
bound that
it
receives
no momentum from the impact, The scatsame energy, and hence wavelength, as it
had before
4-3 Scattering by an atom.
each electron in
it
When an
x-ray
Thomson
with the
part in the
is
the wave scattered by a single electron? The answer is yes, if the scatter1
ing is in the forward direction (20 = 0), because the waves scattered
by
"
all
atom
f all
SCATTERING BY AN ATOM
4-3]
This
is
It9
atom
electrons of an
points arranged around the central nucleus. The waves scattered in the
forward direction by electrons A and_J^are exactly* in phase on_a_3Kave
ence being less than one wavelength. Partial interference occurs between
the waves scattered by A and 5, with the result that the net amplitude of
the
of the
wave
scattered
I A
quantity /, the atomic scattering factor, is used to describe the "efficiency" of scattering of a given atom in a given direction. It is defined
as a ratio of amplitudes
:
forward direction^
by individual electrons
/ decreases. The atomic scattering factor
scattered
of the incident
beam
at a fixed value of
0,
also
will
X'
FIG, 4-5.
110
DIFFRACTION
II
[CHAP. 4
The
actual calculation of /
involves sin 6 rather than 6, so that
beams.
that / decreases as
the quantity (sin 0)/X increases!
Calculated values of / for various
is
of (sin 0)/X
Appendix
8,
and a
is
given
in Fig.
low values for scattering in the backward direction (0 near 90) or for
FIG. 4-6.
The atomic
scattering fac-
tor of copper.
wave is proportional to
very short wavelengths. Since the intensity of a
scattered
of
a
curve
intensity fit)m an atom
the square of its amplitude,
of a curve such a& Fig.
ordinates
the
can be obtained simply by squaring
observed scattered inthe
4-6.
(The resulting curve closely approximates
tensity per
The
atom
of a
scattering just
is
of
the only kind capable of being diffracted. On the other hand, incoherent,
or Compton modified, scattering is occurring at the same time. Since the
is
latter is
due to
quanta with loosely bound electrons, its inthe unmodified radiation increases as the pro-
collisions of
which contain
light
It is
also found that the intensity of the modified radiation increases as the
and of
quantity (sin 0)/X increases. The intensities of modified scattering
and with
To summarize,|when
beam
absorbing substance
fluorescent x-rays
Compton
unmodified
Compton modified
(coherent)
(incoherent)
recoil
photoelectrons
electrons
(After
Effects produced by the passage of x-rays through matter.
FIG. 4-7.
N. F. M. Henry, H. Lipson, and W. A. Wooster, The Interpretation of X-Ray Diffraction Photographs, Macmillan, London, 1951.)
beam. More loosely bound electrons scatter part of the incident beam
and slightly increase its wavelength in the process, the exact amount of
increase depending on the scattering angle. The former is called coherent
or unmodified scattering and the latter incoherent or modified both kinds
occur simultaneously and in all directions. If the atom is a part of a large
group of atoms arranged in spaceTh a Tegular periodic fashion as in a crys;
tal,
from
is,
^1
We are now in
from Chap. 1,
matter. This is done schematically in Fig. 4-7. The incident x-rays are
assumed to be of high enough energy, i.e., of short enough wavelength,
to cause the emission of photoelectrons and characteristic fluorescent radiaThe Compton recoil electrons shown in the diagram are the loosely
tion.
bound electrons knocked out of the atom by x-ray quanta, the interaction
giving rise to
Compton modified
radiation.
tensity of
up the crystal. The mere fact that the atoms are Arranged in a periodic fashion in space mftans that the scattered radiation is
definite directions
and
is
now
referred to
DIFFRACTION
112
II
p.
2'
-(MO)
The
FIG. 4-8.
atom
effect of
position
rays.
is,
beam can
If
is
not
may be
may occur,
Since
fl.tnrjijvisit.inn
the crystal is merely a repetition of the fundamental unit cell, it is enough
to consider the way in which the arrangement of atoms within a single
.
cell affects
scattered
by the
^as
t
'
^^
5 2 'i'
MCN
..
f.
2rf/, 00
sin
X.
IM.I
........
|/
4-4]
From
113
= AC =
How
is
by atom B, located
need be considered since only in this direction is the Bragg law satisfied
AGO reflection. Clearly, the path difference between ra%._ 3' and.
6
ray 1', 3 'i>, will be less than X; by simple proportion it is found to be
for the
AC
(X)
(X).
a/ft
...
=
The use
of angular
measure
is
2?r
radians.
(27T).
If
it
is
convenient because
length
is
specified.
The phase
difference, then,
that scattered by
atom
at the origin
is
If the position of
atom
is
specified
by
and
given by
2irhx
5vi'
its fractional
coordinate
u = -
This reasoning
which atom
may
z or fractional coordinates
in
xyz
-a o
faL^bJm).
This relation
is
general
cell
of
any shape.
DIFFRACTION
114
FIG. 4-9.
II
[CHAP. 4
of Fig. 4-8.
These two waves may differ, not only in phase, jbut^also in amplitude if
B and the atonTstr-trre ongih"^l^^d^fferent kinds. In that case,
v .ie amplitudes of these waves are given, relative to the amplitude of the
atom
wave
exponential function.
+E
FIG. 4-10.
The
4-4]
117
~-2
FIG. 4-11.
FIG.
4-12.
wave vector
in
the
complex plane.
as
beam.
in a diffracted x-ray
with time
EI
= A\
of the
length
A,
but
differ in
Waves
sin (2irvt
sin
(2wt
be written
^i),
(4-5)
$2).
4 ~^)
</>.
is
may
E 3 which
differing in
Their equations
E2 = A 2
These waves are
of
is
such as (a
6z),
where a and
= V-il
is
imaginary.
may be plotted in the "complex plane," in which real numnumbers as ordinates. Any
are
bers
plotted as abscissae and imaginary
the origin to this point then
from
drawn
vector
the
or
this
in
plane
point
number
bi).
(a
a
particular complex
represents
vector
a
for
representing a wave, we
an
To find
analytical expression
Such numbers
draw the wave vector in the complex plane as in Fig. 4-12. Here again
the amplitude and phase of the wave is given by A, the length of the vector,
and 0, the angle between the vector and the axis of real numbers. The
+
the complex number (A cos
analytical expression for the wave is now
vertical
and
horizontal
the
components
are
terms
two
these
iA sin </>), since
<t>
DIFFRACTION
II
[CHAP. 4
md ON
it
we
If
write
down the
power-series expansions of
ix
,
we
find that
e
ix
cos x
sin
(4-7)
or
Ae* = A
cos
<t>
Ai
sin 4.
(4-8)
analytically
called a
either side of
by
complex exponential
function.
wave
tude,
of the
is
we now
wave vector. When a wave
expressed in complex form, this quantity is obtained by multiplying the complex expression for the wave by
its complex conjugate, which is obtained simply by replacing i by
i.
is
\Ae
which
is
*\
* is
Ae~
We
*.
= Ae +Ae-* = A 2
have
(4-9)
by Eq.
(4-8),
we have
A (cos
We
return
sin
now
4)A(cos
<
i sin
<)
= A 2 (cos 2
<t>
sin
A2
==
</>)
atoms
Eq. (4-4) in terms of the hkl reflection considered and the uvw coordinates
Using our previous relations, we can then express any scat-
of the atom.
tered
wave
in the
The
structure factor
^ y e2*i(hu2+kvi+lwti
is
i
given by
/
g 2iri(Au3-H;i>s-f Iwi)
4-4]
This equation
may
117
N
f
Z^Jn
\~*
hkl
14-11)
the summation extending over all the atoms of the unit cell.
F is, in general, a complex number, and it expresses both the amplitude
and phase of the resultant wave. {Its absolute value |F| gives the amplitude of the resultant wave in termsofr tne amplitude of the wa/ve^scaTEered
ay a single elect ron.~Like the atomic scattering factoFJT
|^'|
is~definect as
**"
ratio of amplitudes :\
|/P|
all
cell
.4
The
intensity of the
direction predicted
square of
it
in
Eq. (4-1 1) by
its
complex con-
Equation (4-11)
jugate*
is
by Eq.
(4-4).
may
be
F=
Z/n[cOS
2ir(7Wn
+ kVn + lw +
n)
SU1 2v(hu n
+ kVn +
lWn)].
written
F =
+ ib,
unit
cell.
In general,
DIFFRACTION
118
III
where
[CHAP. 4
<*
+ Jw n
/n cos 2ir(hu n
/n sin 27r(/m n
+ ^n +
+ ib)(a -
kv n
),
JV
lw n ),
\F\
[/i
cos 2r(hui
fe
(a
Ztin)
is
form, particularly
form
is
much
if
form
fan
+/
a2
&2
of the equation:
cos 2r(Atii
kvi
ib)
Iwi)
+ fa* +
+ /, sin
^2)
2ir(fctt2
+
kv 2
2
]
Iw 2 )
2
-]
easier to manipulate,
the structure
at
is
all
more compact.
In calculating structure factors by complex exponential functions, many particular relations occur often enough
to be worthwhile stating here.
They may be verified by means of Eq.
(4-7).
e
(a)
vi
In general,
(c)
(d)
e
(e)
lx
nTl
nvi
e~
lx
Ti ==
5iri
e
**<
c*'
(fc)
e*
n
(
l)
e~~
2 cos
"
+1,
where n
nTl
= -1,
where n
is
is
any
any
integer,
integer,
z.
by working out some actual examples, and we shall consider a few such problems here and again in Chap. 10.
(a) The simplest case is that of a unit cell containing only one atom at
the origin, i.e., having fractional coordinates 000. Its structure factor is
be gained only
F =
2Tl(0)
/e
and
F2 =/2
F2
thus independent of A, fc, and I and is the same for all reflections.
Consider now the base-centered cell discussed at the beginning of
this chapter and shown in Fig. 4-1 (a). It has two atoms of the same kind
per unit cell located at
0,and J J 0.
is
(6)
/[I
1U
STRUCTURE-FACTOR CALCULATIONS
4-6]
This expression
may
conjugate, since (h
Therefore
On
sum
is
2/
F2 =
4/
2
.
if
F =
for h
F =
2
Note
and k unmixed;
for h
then their
F =
and k mixed;
0.
all
may
This
also be calculated.
and f |
at
cell
|.
F =
fe
F =
2f
F =
27n(0)
S 2iri(h/2+k/2+l/2)
e
when
+k+
(h
I) is
even;
4/
F =
when
(h
+k+
I) is
odd;
agreement with the structure-factor equations for these two cells. A detailed examination of the geometry of all
possible reflections, however, would be a very laborious process compared
cell
not.
This result
in
is
now be
face-centered cubic
considered.
located at
0,
| f
cell,
Assume
0,
|,
it
and
\.
same
may
kind,
DIFFRACTION
t20
If A,
fc,
II
[CHAP. 4
and I are unmixed, then all three sums (h + ft), (h + Z), and (fc
and each term in the above equation has the value
F =
F =
for
4f
If
ft,
/c,
and
16/
^ *>
unmixed
1.
indices;
V;
sum
<
is
1,
F =
for
mixed
indices;
F =
2
Thus, reflections will occur for such planes as (111), (200), and (220) but
not for the planes (100), (210), (112), etc.
The reader may have noticed in the previous examples that some of the
information given was not used in the calculations. In (a), for example,
the cell was said to contain only one atom, but the shape of the cell was
not specified; in (6) and (c), the cells were described as orthorhombic and
in (d) as cubic,
calculations.
independent of the shape and size of the unit cell. For example, any bodycentered cell will have missing reflections for those planes which have
fc
(h
I) equal to an odd number, whether the cell is cubic, tetragonal,
is
+ +
or orthorhombic.
The
rules
we have
subject to
They
are
some
TABLE 4-1
*
These relations apply to a cell centered on the C face. If reflections are present
only when h and I are unmixed, or when k and I are unmixed, then the cell is centered on the B or A face, respectively.
STRUCTURE-FACTOR CALCULATIONS
4-6]
121
carbon atoms per unit cell. All the reflections present have unmixed
but reflections such as 200, 222, 420, etc., are missing. The fact
indices,
that the only reflections present have unmixed indices proves that the lata clue to the
actual
atom arrangement
in this crystal.
per unit
cell,
located as follows:
Na
000
Cl
HI
f |
Off
00 i
OfO
fOO
In this case, the proper atomic scattering factors for each atom must be
inserted in the structure-factor equation
:
F =
/Na[l
+
As discussed
7
e'*
e*
lk
F =
/Natl
The
may
be changed, by rela-
Therefore
DIFFRACTION
122
For unmixed
II :
indices,
Ff2 =
FF2 -
+ /ci)
4(/ N
16(/ Na
+/Cl)
+k+
if (ft
+ +
is
even;
is
odd;
2
.
- /ci)
4(/ Na
(h
if
fc
16(/ Na
In this case, there are more than four atoms per unit
is still
[CHAP. 4
The
face-centered.
cell,
but the
lattice
inated any reflections present in the case of the four-atom cell, but it has
decreased some in intensity. For example, the 111 reflection now involves
the difference, rather than the sum, of the scattering powers of the two
atoms.
will be given here.
(/) One other example of structure factor calculation
two atoms of the
has
in
2-15
shown
The close-packed hexagonal cell
Fig.
and
at
F =
For convenience, put
Since g
may have
[(h
fe
J.
2iri(0)
fM
_|_
2/c)/3
F =
/(I
1/2]
g.
2
').
^-,
|F|
=/ 2 (l +
=
By
(2
/ (2
[2
2 cos 2*0)
2(2 cos *g
(h
"')(l
2vi *
+
<T
c-"
2't
')
2Tl
*).
becomes
when
+ 2fc)
is
1)]
a multiple of 3
and
is
odd.
will
F.
4-7]
123
is
a multiple of 3 and
is
+
--
/h
I
2k
even, then
l\
h - )
cos irn
cos trn
2
|F|
all
where n
n,
=
=
When
is
an integer;
2t/
possible values of h, k,
follows:
4/
and
may
be
summarized as
4-7 Application
a diffracted
3n
3w
3n
3 A?
odd
even
odd
even
4/
2
3/
mainder
method
The
similar, in that monochromatic radiaused in each, but they differ in detail. The remainder of this chapter
be devoted to the powder method, since it is of most general utility
is
in metallurgical
work.
of the diffraction
Lorentz factor,
(5)
absorption factor,
temperature factor^
(6)
The
first two of these have already been described, and the others will be
discussed in the following sections.
124
DIFFRACTION
II
[CHAP. 4
4-8 Multiplicity factor. Consider the 100 reflection from a cubic latIn the powder specimen, some of the crystals will be so oriented that
Other crystals of different
reflection can occur from their (100) planes.
can occur from their
reflection
that
a
in
such
be
orientation may
position
same spacing, the
the
have
all
these
Since
planes
(010) or (001) planes.
tice.
beams
diffracted
Therefore, the probability that {111 } planes will be correctly oriented for
reflection is f the probability that {100} planes will be correctly oriented.
It follows that the intensity of the 1 11 reflection will be f that of the 100
the same spacing. Parallel planes with different Miller indices, such as
num(100) and (TOO), are counted separately as different planes, yielding
the
Thus
in
the
bers which are double those given
preceding paragraph.
multiplicity factor for the {100} planes of a cubic crystal
{111} planes
is
8.
Appendix
9.
4-9 Lorentz factor. We must now consider certain trigonometrical factors which influence the intensity of the reflected beam. Suppose there is
incident on a crystal [Fig. 4-13 (a)] a narrow beam of parallel monochromatic rays, and let the" crystal be rotated at a uniform angular velocity
about an axis through
set of reflecting planes,
tal surface, passes
satisfied.
As mentioned
fe, at
is
is
exactly
greatest
at the exact Bragg angle but still appreciable at angles deviating slightly
from the Bragg angle, so that a curve of intensity vs. 20 is of the form
shown in Fig. 4-13 (b). If all the diffracted beams sent out by the crystal
as it rotates through the Bragg angle are received on a photographic film
or in a counter, the total energy of the diffracted beam can be measured.
This energy is called the integrated intensity of the reflection and is given
by the area under the curve of Fig. 4-13 (b). The integrated intensity is
of much more interest than the maximum intensity, since the former is
LORENTZ FACTOR
4-9]
125
DIFFRACTION ANGLE
FIG. 4-13.
Diffraction
by a
ments
26
(b)
(a)
is
Bragg angle.
The
than the
maximum
We
of BB involved,
find this
maximum
intensity
two aspects
When
of the diffrac-
the reflecting
make an
is still
differs slightly
when the angle of incithe total energy diffracted in the direcrotated through the Bragg angle is given by the
from
is
fe, (and
show the
is
(a)
FIG. 4-14.
Scattering in
(b)
DIFFRACTION
126
II!
[CHAP. 4
A0 from the Bragg position. The incident beam and the diffracted beam
under consideration now make unequal angles with the reflecting planes,
A0 and the latter an angle 2
the former making an angle 0i = OB
an
is shown in Fig. 4-14(b).
on
atomic
scale
Here
A0.
The
situation
OB
we need only
scattered
by adjacent atoms
5 r2
By
'
is
given by
AD - CB
a cos
a[cos (Bs
a cos
62
A0)
B\
cos (SB
A0)].
expanding the cosine terms and setting sin A0 equal to A0, since the
latter
is
small,
we
find:
$i> 2 '
difference
2aA0
sin 0#,
is
2JVaA0 sin B
= (N
1)X,
or
(AT
1)X
A0
2Na sin 6B
This equation gives the
maximum
The breadth
maximum
breadth
was found
was shown
in Sec. 3-7,
way, being
where the half-
The
inte-
which
*
is
If the crystal is larger than the incident beam, then Na is the irradiated length
of the plane; if it is smaller, Na is the actual length of the plane.
LORENTZ FACTOR
4-9]
for large
127
being equal.
the powder particles, some satisfying the Bragg law exactly, some
not so exactly, are the equivalent of single-crystal rotation.
among
However,
we
is
ON
is
set of planes in
powder.
angles
which
is
appreciable
is
A0.
sphere.
sumed
will
FIG. 4-15.
re-
flected rays.
of the sphere; the fraction favorably oriented for a reflection will be given
by the ratio of the area of the strip to that of the whole sphere.
the number of such particles and N the total number, then
AAT
rA0
B)
If
AAT
is
A0 cos 6B
The number
tional to cos
B and
is thus proporin
small
for
backward
direction.
reflections
the
quite
In assessing relative intensities, we do not compare the total diffracted
energy in one cone of rays with that in another but rather the integrated
is
For
most common arrangement of specimen and film, the
Debye-Scherrer method, shown in Fig. 4-16, the film obviously receives a
greater proportion of a diffraction cone when the reflection is in the forward
or backward direction than it does near 20 = 90. Inclusion of this effect
intensity per unit length of one diffraction line with that of another.
example, in the
128
DIFFRACTION
II!
FIG. 4-16.
[CHAP. 4
sin 20/i
The length
of
any
2vR
sin 20s,
where
reflec-
radius of the camera, the relative intensity per unit length of line
portional to I/sin 20B.
is
is
the
pro-
==
cos 6
Vsin 207 \
} [
/ Vsin 207
sin
28
4 sin 6 cos
is
cos 26) of
Lorentz-polarization factor
1
^
o
2
cos 26
5|
CSJ
sin'
6 cos 6
backward
directions.
10
45
BRAGG ANGLE
90
6 (degrees)
ABSORPTION FACTOR
4-10]
129
(h)
(a)
highly
method has the form of a very thin cylinder of powder placed on the camera
For
axis, and Fig. 4-1 8 (a) shows the cross section of such a specimen.
the low-angle reflection shown, absorption of a particular ray in the incident beam occurs along a path such as AB] at 5 a small fraction of the
diffracted by a powder particle, and absorption of this
occurs along the path BC.
Similarly, for a high-angle
of
both
the
incident
and
diffracted beams occurs
reflection, absorption
a
such
as
The
net
result
is that the diffracted
(DE
EF).
path
along
incident energy
diffracted
is
beam
beam
is
of lower intensity
absorption.
A calculation of this effect shows that the relative absorption increases
as 6 decreases, for any given cylindrical specimen. That this must be so
can be seen from Fig. 4-1 8 (b) which applies to a specimen (for example,
tungsten) of very high absorption. The incident beam is very rapidly
absorbed, and most of the diffracted beams originate in the thin surface
layer on the left side of the specimen backward-reflected beams then
,-f
The powder patterns reproduced in Fig. 3-13 show this effect. The lowestangle line in each pattern is split in two, because the beam diffracted through the
center of the specimen is so highly absorbed. It is important to keep the possibility of this phenomenon in mind when examining Debye-Scherrer photographs,
or split low-angle lines may be incorrectly interpreted as separate diffraction lines
from two different sets of planes.
DIFFRACTION
130
III
[CHAP. 4
4-11 Temperature
collection of
factor.
atoms located at
Actually, the
atoms undergo thermal vibration about their mean positions even at the
absolute zero of temperature, and the amplitude of this vibration increases
In aluminum at room temperature, the
as the temperature increases.
from its mean position is about 0.1 7 A,
an
atom
of
average displacement
which is by no means negligible, being about 6 percent of the distance of
closest
in this crystal.
diffracted
number
integral
of wavelengths.
Now
which the vibrating atoms lie is, on the average, 2?/, where
"planes'
u is the average displacement of an atom from its mean position. Under
these conditions reinforcement is no longer perfect, and it becomes more
'
in
TEMPERATURE FACTOR
4-11]
131
up to the melting
right
It is also
creases.
have quite large values of u even at room temperature and therefore yield
rather poor back-reflection photographs.
The thermal vibration of atoms has another effect on diffraction patBesides decreasing the intensity of diffraction lines, it causes some
This is called temperaturegeneral coherent scattering in all directions.
it
to
the
contributes
only
diffuse scattering;
general background of the
terns.
pattern and
lines
its
is
Contrast between
a very undesirable
angles.
atoms from
their
mean
positions constitutes a
kind of crystal imperfection and leads to a partial breakdown of the conditions necessary for perfect destructive interference
called
"
This law
"the approximate law of conservation of diffracted energy.
a
under
the
diffracted
states that
total energy
by particular specimen
particular experimental conditions is roughly constant.
Therefore, anything
specimen does not alter the total
distribution in space. This "law"
done to
amount
all rigorous, but it does prove helpful in considering many diffracphenomena. For example, at low temperatures there is very little
background scattering due to thermal agitation and the diffraction lines
is
not at
tion
DIFFRACTION
132
II
lines.
We
are
now
in
[CHAP. 4
a position to
Y + C0s22g>
1
(4-12)
2
\ sin 6 cos 6 /
where I
factor,
equation,
we have omitted
factors
all lines
of the
Thomson equation
(Eq.
For example, all that is retained of the
2
cos 26), with constant factors, such
factor
the
(1
polarization
4-2)
of the elecas the intensity of the incident beam and the charge and mass
is
also
directly proporThe intensity of a diffraction line
tron, omitted.
pattern.
is
is
in
Debye-Scherrer method because of the particular way
those
as
which the Lorentz factor was determined; other methods, such
a modification of the Lorentz
involving focusing cameras, will require
stricted to the
integrated
tensity
It
vs. 20.
is
unit
since intensity is -expressed in terms of energy crossing unit area per
of time.
beam diffracted by a powder specimen carries a certain amount
unit time and one could quite properly refer to the total
of
energy per
incident on a measuring
power of the diffracted beam. If this beam is then
of time and if a
certain
for
a
length
as
such
photographic film,
device,
the
from
measurements,
constructed
is
26
vs.
curve of diffracted intensity
beam.
diffracted
the
in
total
the
curve
this
under
energy
then the area
gives
This
is
the quantity
commonly
more descriptive term would be "total diffracted energy," but the term
in the vocabulary of
"integrated intensity" has been too long entrenched
now.
be
changed
x-ray diffraction to
4-13 Examples of intensity calculations. The use of Eq. (4-12) will
be illustrated by the calculation of the position and relative intensities of