UNIT

Elementary Lattice Dynamies

2
Q.1. Discuss in detailthe lattice vibrations of One-Dimensional line
of Atbms.
Ans. One-Dimensional Line of Atoms : We shall nowinvestigate the
vibrationalmotion of a non-homogeneous medium--namely, a one -dimensional
chain of identical atoms each of mass m. connected by ideal Hooke's law springs
as show in fig. At equilibrium the atoms will be situated on equally-spaced
equilibrium sites represented by . , n - 1, n, n + 1... with xcoordinates as
(n - 1) a, na, (n + 1)a,.... However, when the vibrational motion is excited, they
will execute periodic motion about their equilibrium positions; let the
displacement of the nth atom from its equilibrium position is given by un. To
set up a force equation, assume that the forces between neighbouring atoms
are the linear forces; that is, the force required to produce an atomic
displacement is proportional to the displacement itself. This is a reasonable
assumption, since the atoms are being considered as being bound by ideal elastic
springs. Further assume that the only significant forces between atoms are
due to direct nearest-neighbour interactions. With these assumptions, we can
write the net force acting upon the nth atom in terms of extensions of the two
springs which bind it to the atoms n + l and n -1as
-a
n-3 n-2 n-1 n nt1 n+ 3

vgwwewmeww@wew@ (a) State of equilibrium

Un-3 Un-2 Un -1 Un Un t 1 Un+2

(6) State of displacement
Fig. I
F, = B(u, +1 -u,)-B (u, - u, -1)
= B (u, ,1Wn-Zu), ..)
Where ß is the spring constant. It may be added that the influence of the
atomsother than direct nearest neighbours, say for example of the (n + 2)nd
atom, may operate via (n + 1)st to influence ultimately the motion of nth
atom. But it may be regarded as negligible.
Applying Newton's second law, we then obtain the equation of motion

m d'dy?
un = B(u,.1tU,-1-Z,' ..(iü)

(29)
 [Semester-VI]
Physics
(Prog.) IllYear Elementary Lattice Dynamics 31
Amar : B.Sc.
30

atom.
acceleration of the nth
where
d'u, is the
equation :
Ist Brillouion Zone
d2 this wave
periodic solutions to ..(iüi)
Let us seek the Kna)
expect that
we should then
According to this scheme,
al
Uoel0l- K (n + 1)
Un +1 = a)
...(iv)
- K (n - 1)
and un-1 = Une'lot Fig.II
motion along
back into equation (i|) of 1. At low frequencies (K ’ 0 i.e. the long-wavelength limit)
If the solution (ii) is substituted
the result is Ka Ka
with equations (iv), (eRa2+e-ika) sin
mo = B 2 2
V2|2
= Bleika V2 -o- (iKa and we therefore have
2 Ka
However sin x = 2
2
Or O= v K,
1ei-e-iy Which is not different form that of the homogeneous,
Or
sin'x =
4 bhase velocity and group velocity being again continuous line; the
equal to v. Thus, for long
vavelengths the atomic nature of the chain is of little
Therefore - mo² = -4B sin?
Ka
ynamical behaviour of the system is concerned. This isimportance as far as the
to be expected because
2 he long-wavelength waves would not be sensitive to the discreteness of the
hedium; that is, a large number of atoms would
sin
Ka ...(v) s on a homogeneous line. See fig. III (a). participate in all displacements
Or Vm 2 2. At higher
parameterscand p nger equal :
frequencies, the phase velocity and the group velocity are no
or, in terms of our familiar
Ka n and ß
C do Ka
() =
sin
2
since p= dK = U_ COs 2

2v Ka
..(vi) K Ka sin
+ 2u, sin
a In this range of
frequencies, both the velocities are thus a function of
2 ...viii)
essentially positive quantity, quency..A similar situation
Since we must regard the frequency as an
only the arises when light passes through a
refractive index is a function
negative, we must consider medium where
irrespective of whether Kis positive or (vi) and we should have finally spersion, and such a of the frequency;
magnitude of the right hand side of (v) or medium
dium we are now dealing with is adescribed a dispersive medium.isSo, the
is as called phenomenon
...(ui),m dispersion effects are negligibledispersive
e one. For very long
()=
4ß
|sin Ka-in Ka mogeneous continuous medium. and the same medium
behaves like a wavelengths,
m

form (iii) provided that o is 3. At

We thus see that there are solutions of the frequency o = 4ß
related to K by (viü). The relation (vi) is shown plotted in fig. and is known as m (which is the maximum value of
the dispersion relation, We draw the following significant results: Ifrom (vi) and (vii): frequency) we
 Physics |Senmester-VI|
(Prog.) lllYear
Amar : B.Sc. Elementary Lattice Dynamics 33
32

(a)

K,
k, k, K; K. K,i
h-4te 3 - t e 2 t 1 - e 1 - 2 e 3 - 4
4n/a -3r/a - 2r/a
- n/a 0 nla 2r/a 3r/a 4n/a
4h 2nd Ist
H3rd -2nd +4th
3rd
(b) Fig- IV. showing several periods of the
dispersion relation (vi) and lst, 2nd,
Fig. III
as transverse motion 3rdand 4th Brillouin zones for this case. Dotted curve is a plot of the
atoms shown dispersión
on alinear line of is however relation for a continuous string. and frequency 0, can also be associated with
Fig. 7. Wave motion representation, the actual motion line; Several other values ofK and hence of
clarity in approaches to that of a
homogeneous diffeient values of .. That this is possible
for the sake of is shown in fig. (V) where the
same set of atomic displacements
longitudinal. In fig. (a), the motion 2a; the motion is a standing wave. waves of represents two
(b) = different
(ix frequency o,. Let uswavelengths,
wavelengths. In fig. each of the
this occurs at long h= 2a: now seek whether thererepresentations having the same
exists any relationship between
K= these different values of K for the same
...(x)
frequency o,
’ finite.
, = 0 and
statement First observe that in the central region
its energy, the -<K<* marked
represents the transfer of a signal or. of is being propagated l and 1', there
Since U no signal or energy reflectione only two possihlo
this frequency limitsituation
(X) means that atstanding is equivalent to Bragg condition
wave. The crystal; the
and the wave isa of atomsin the
from successive planes first order reflection
of the X-vibrations being nà= 2d sin or .A, = 2d for the condition
ofreflection therein equivalent the Bragg
to
incidence. The condition (ix) is thus illustrated by fig. III
with normal physical character of themotion is
ofreflection. The actual standing waves.
(6)for this condition of only the frequencies
thus interesting to note that
It is
considere
The lattice may then be Fig. VA single set of atomic
j4ß (2Us propagaie do wn a linear lattice. aves of different wavelengths. displacements represented by two sinusoidal
an, In case of a lattice the
m
in the frequency range between zero aves would be the same; but in continuum both the frequencies of these
a low-pass filter which transmits only 10°
insolids of the order of fferent. values: K=+K,.
a -l0-8 and the velocity of soundfrequency to be 10 sec, the right, Positive sign indicates that thefrequencies
wave K, is
would be
2v,/a. Using value of maximum and negative sign that the wave K, is travelling to the travelling
10 cm-sec-', we find thecontinuous string has no such
frequency limit. e two more possible
values K = K, in the regions left. There
contrast with this, the the lattice corresponding t alure. But it is seen that if we marked 2 and 2¢ in the
vibrational motion of translate the
fig. (iv) (which is tstance 2p/a, and translate the region 2¢ region 2e towards left through a
4. Consider nowa range. It is seen from the that
frequency o, in thevibrational curve) associated wittance, the central
region is completely covered towards right through the same
several periods of the by these
extension of fig. (ii) showing values of K. From this we mithe possible solutions in region l¢, thus the same asregions.
The character
many possible
this frequency O, there are propagate several wavelengths at the santutions in region le, except that there is a that for the possible
regions 2e and 1.difference
conclude that the lattice can displacemenne can be spoken for of 2p/aiin K-values; the
that the pattern of atomic Likewise,
frequency o,. Physically, this means say K,, in the range
ntaining two more possible values K=+ K, can coverthe regions 3 and 3¢
associated with a certain value of K,
translation the region 3 through adistance 2p/a the central region by
of
nslation of the region 3¢ through the same towards left and the
K< distance towards right and the
 [Semester-VI]
34 Amar : B.Sc. (Prog.) IIIYear Physics
character of the solutions in these regions again coinciding in the same way Elementary Lattice Dynamics
the central region, the difference in their K-values in this case 35
with those in
and 4', etc. The fact of Or

also being 27 /a. Similar relations hold for regions 4positions representing a K= 2 3r
4n NI
Na Na Na Na
central importance is that any arrangement or atomic can be represented, or
...

Na
sinusoidal wave of any wavelength, however short, 27r 3n 4T
lies in the central
reduced, to correspond to a sinusoidal wave for which K Nz
region. For this reason, it is not desirable to consider

those contained in the central region - <K<* This

vibrations other than

central region is called

Since Na= L. Thus, in
K should be K=TL'L'L
order (xi)to represent the
restricted to the above values. Since thenormal modes of
...(xii)

maximum valuevibration,
of K has
to be it has been
the 'first Brillouin zone as we have seen in chapter 2, and
is thus of utmost terminated at (N/L) or (N/Na). Note that K =0
added that if a given
importance in dealing with periodic structures. It may beconverted, excluded, since it corresponds to all the must be
value ofK lies outside the first Brillouin zone, then it is
or reduced, atoms at rest.
suitable integral multiple of 2r /a. The u, = un Sin n+ sin ot, Further,K= NaLgives
so as to lie inside it by subtracting
reduced value of K will represent
a
the identical results, with a difference in corresponding,
We thus similarly, toall the atoms at rest ; it must
conclude that alsobe excluded.
wavelength of course.
lattice :
Normal modes of vibration in afinite length of the K-" 2n 3n 4n
We shall now determine the number of possible modessatisfy of vibration (i.e. the
of Jn other words, L'L' L'L (N-L 1)r ...(xiii)
equation (üi) which a given set there are (N - 1) allowed
independent solutions of the wave value of K
boundary conditions) associated with a lattice of
length L. The result is of
This number corresponds to one independent values of K. One
is equal to the normal mode, so there are (N- 1)
fundamental importance in the problem of the lattice heat capacity. one normal mode of vibration number of atoms
allowed normal
to move. Thus, modes.
numbered from n =0 there is
Consider that in the length Lthere are N + l atoms There is another device for corresponding to every atom which is mobile.
to n = N, at separation a; see fig.V (a). used and enumerating the normal modes which is often
fixed. Under these conditions, a lattice arewhich is equally valid. To pursue this,
Suppose the atoms at the two ends are ends and a free and suffer suppose the two ends of the
wave running down the lattice would be
reflected from the fixed
motion is excited. This is exactly the same
displacement when a
standing wave would be set up in the lattice: possible
inside an infinitely long lattice. when we consider the lattice ofvibrational
may be studied by However the vibrational properties in length L
Fixed -Fixed
with the zeroth atomimagining that the lattice has been bent into a
this case
n=01 2 fig. VI (6). Under thesejoined onto the Nth atom to close the latticecircular form,
n=0, 8 (a)
conditions, running waves will set up in theas shown in
W= W,e ot- Kna) lattice:
This will qualify as a normal mode
this case state that the under the boundary
6
precisely the same i.e. ifdisplacement u, at the two ends of theconditionswhich
lattice must be
in
it gives

This also
every set of Ncorresponds
to the repetition of same
(b) atoms, as the choice amplitude conditions after
of the zeroth atom
with N = 8 for fixed boundary at a
Fig. VI. In (a), elastic line of N + 1atoms,a ring by joining zeroth atom with
bent into
not important. In other
words, the conditions correspondparticular atom is
to the periodic
conditions. In (b), lattice of fig. (a) repetition of the amplitude, the periodicity
conditions. In the forme case, there being of the lattice L = Na. We must
the eighth atom for periodic boundarycase the number is just N. herefore have, in general, the following boundary
are N - 1atomns free to move, in latter condition
Kna sin ot. ...(ai u,= u, +N
u, = u, sin Note
satisfies the boundary condition +N referthat, according to the fig. V
to the same atom. These (b)-representation, the subscripts n and
This will represent anormal mode if it i.,
which state that the displacement u, at the
n
ends of the lattice must be zero on Karman and are called cyclic conditions were first proposed by Born and
or periodic boundary conditions. "Their
if itgives u = U=0. pplication to (xiv) requires
This requires that sin Kna = 0
 (Semester-VI] Elementary Lattice Dynamics 37
Year Physics
Amar : B.Sc. (Prog.) IIl
36 from its two nearest neighbours by a distance 'a' and that the mass of the
o-iKNa l lighter atom is 'm' and of the heavier atom M, assuming the two kinds of
41 67 N atoms have different masses: We shall analyse the motion just as we did in the
K= 0,t
2n +
Na mono-atomic case writing, of course, separate equations of motion for the light
Na Na Na and the heavv atoms
-5 h-2a
47 NI ...(xvi 2n- 3 2n - 1 2n + 1 2n + 3 2n + 5
2r
K= 0, t L tT L L 2n - 4 2n-2
2n n+2 2n + 4
Or
and remembering Equilibrium state
the first Brillouin zone,
restricting the values of K to
Na independent one. We thus
NI i.e. not the
that K = is identical to K=+
But this is also the
independent K-values equal to N.the same conclusion
have the total number of free to move. Thus we
are led to When in Vibration
number of atoms which are number of possibe
arrived at under fixed boundary conditions that the which are mobile
as equal to the number of atoms -
vibrational modes of a lattice is well as negative Un-3
representation K can accept positive as
Uzn 3 Un

In the running wave representation Kis, however, always positive Fig. I

values; in the standing wave corresponding
is discrete, one frequency is not, strictlh
Here again,
toeach value of
the
K
frequency
This merely
spectrum
means that the dispersion relation F2n = m d'dt?
uzn - B(u2n +1 - 2u2n t u2n - 1)
rather a series of closely spaced point
speaking, a continuous curve butvibration.
F2n +1'= M d'ugn +1 = B (ugn +2 - 2u2n + 1 + u2n
representing the possible modes of ...(i)
unit range of K is called th
Density of K-states. The number of modes perabove one-dimensional lattic dt?
K-states and is denoted by A(K). For the
density of each interval
of constant 'a', as there is one mode for under the assumption that each atom interacts only with its nearest
neighbours and that the force constants are identical between all pairs of nearest
(with fxed boundary conditions neighbours. We must seek running wave solutions of the type :
AK= -2Kna)
2 L2,, = Ae' (ot
(with periodic boundary conditions) Kal
U2n + 1 = Be'lot -(2n + l) ...(ü)
4(K)L (with fixed boundary conditions where K is the wavevector of a particular mode of
we have
frequency of the two types of atoms is being taken thevibration. Note that the
same. This is because
both types of atoms participate in the single wave
L
(with periodic boundary however, different because of the difference in theirmotion K. Amplitudes are,
masses.
21 conauouthe expressions for w. and u, and substituting them Writing similarly
into (i), we get the
It must be remembered, however, that in (xvii) Kranges from 0 to /a, anWo equations
in (xviii) from to This accounts for the difference of a factor 2 in the tW -mo' A =BB (etha +ehay- 2BA
expressions ; the total number of vibrational modes being thus again the sam -Mo B- BA (elha +ehay- 2BB ...(üi)
for the two representations. Writing 2 cos Ka for (e Lka + elka), and
Q 2. Diseuss Lattice Vibrations of the Linear Diatomic Lattice. rearranging the terms, we have
Ans. The Linear Diatomic Lattice: We now consider a linear lattice (28 - m)A - (2B cos Ka) B = 0
two different kinds of atoms, arranged alternately as shown in fig I. that is, (- 2ß cos Ka) A + (28 - M) B = 0) ..(iv)
lattice with a basis of two atoms in the primitive cell. Let each atom be separate
 3S Amar: B.Sc. (Prog.) l|| Year Physics |Semestef
Elementary Lattice Dynamics
has a non-vanishing solution fo 39
This set of homogeneous linear equations
coefficients of Aand B vanishes, i.e,
A and B only if the determinant of the mM
28 -mo2 2ß cos Kal (M + m
= 0
-2B cos Ka 2ß Mo2 28 K² a2
M+ n
or (2B Mo²) (2Bno²) 4B cos Ka = 0
2B (m + M) o,24B sin Ka 2
= 0
mM M+ m
mM .(vui)
For K ’ (r/2a), the solution is
giving finally
1 4 sin Ka =
2ß
Mn .. VM
M ...(ix)
The solution (v) is plotted in fig. II
lattice. This mayh (vi), (vii), (vüi) and (ix). together with the other derived solutions
This is the dispersion relation for the linear diatomic
linear monatomic lattice: We observe :
compared with the corresponding relation for the
(1) The allowed frequency range of
4ß:2
o²= sin
Ka called the optical branch propagation is split
and a lower branch called the into an upper branch
m acoustical branch looks qualitatively acoustical branch. The
similar to the dispersion relation
to a sing monatomic lattice, but the optical branch
The diatomic case evidently has two values of o correspondingo). We m: for a
represents a completely different
value of the wave vector K (considering only positive
values of type of wave motion. Anyway, there are
whether the + or two modes for every K
denote these two values of o by and o corresponding to (2) There is a band of
sign is taken in (). We consider first o,. For K ’ 0 we can neglect the si for which the wave-like frequencies (shown shaded) between the two branches
solutions (of the formn (iü) do not exist. This is a
term. So we have characteristic feature of elastic
such a band would mean that it is waves
in diatomic lattices. The
not possible to excite existence of
1
.+
lying within this band. It is, due to this vibrations of a frequency
2p M
...(i
band'. The width of this band depends onreason, called the 'forbidden frequency
the mass ratio M/m- the larger
ratio, the wider the frequency band. If two masses are equal, the two this
-4 join at K=+ (r/ 2a) and the forbiddenthe band branches
For K ’ the sine term becomes and we have disappears.
2a Mm
Opical branch
2B ...u
0= V28/m
28/m
28/M ndden Frequency Band
We now consider o-. For K’0 the sine term become (4K' aMm). (In t 28/M
case we cannot neglect it because it proves to be the only non-zero term). m< M
Acoustical !
get branch

K/2a
1 Mm 4K2 Ist Brillouion Zone
1
M m (M + m) Fig. II
(3) The first Brillouin zone goes in this case from K=-(r/2a) to K= +( 2a).
Therefore the smallest possible wavelength of this Brillouin zone is 4a,
Mm
4K a2 corresponding to the value n/2a of K at the zone boundary.
(M + m)2
 40
Amar: B.SC. (>rog.)
Elementary Lattice Dynamics 41
between the vibrati
Now,one might ask what is the physical difference
so called. To work out. the neighbouring atoms move in opposite directions and in the acousticalcase
represented by the two branches and why they are branches. For the optical they goin the same direction. These characteristics of the optical and acoustical
reply we shallfirst calculate ABas K’ 0for the two branches hold also for other values of K.
branch as :
K’0 cos Ka ’ 1,
so from (iv)
B-A
-0' mA = 2BB 2BA or mA (a) Optical mode
2ß
A - B
and -o MB= 2BA - 2BB or 2ß MB

A -B B -A M (b) Acoustical mode

whence =

MB mA m Fig. III. Distinction between the optical and the

acoustical
waves in a diatomic linear lattice in the K’0-limit.
This indicates that the two masses move opposite to each other; their
The acoustical branch vibrations can be excited by some kind of
amplitudes being inversely proportional to the masses so that the centre of force that
mass of the unit cell remains fixed during their motion; sec fig. III (a) forces all the atoms in the crystal to go in the same direction. For example, we
Let us now calculate A/B for the acoustical branch. As
may direct abeam of sound waves at the surface of a crystal; this will produce
the desired effect. It is for this reason, such vibrations are called the
K²a2 vibrations and constitute the acoustical branch in the dispersion relation.acoustical
K’ 0, cos Ka ’ 1 A
2 monatomic lattice can respond only to this kind of excitation.
(in this case the second-order term becomes significant). We find, again The optical branch vibrations, on the other hand, can be excited by a
that produces opposite effect on the two atoms. Ionic force
of oppositely-charged ions) respond to this kind of crystals (having two types
from (iv)

K'2 irradiated by a light beam. From this mode of excitation excitation when they are
the term optical branch
- o² mA = 2pB|1 2
2BA has been derived. It should be noted, however, that the occurrence of such
vibrations does not necessarily depend on the mass difference of the two
or even on their being oppositely charged. It atoms,
-aMB- 2BA1, K'2 -2ßB the two atoms per primitive cell so that theydepends can
only on the presence of
centre of mass. Thus the structures such as the move
and
2
in and out fromn the
diamond
lattice having two identical atoms per primitive cell also hávelattice and the hcp
Adding these two equations an optical branch.
Let us now collect some interesting facts about the
o? (mA + MB) = K'a²B (A + B)
1. If the atoms of a lattice are all of
diatomic lattices :
and substituting the value of o? as we have equal masses 'm', the frequency range
2B is the sam e whether it is am onatom ic or a diatom 4ß
(mA + MB) K°a= -K'a2B (A + B) iclattice:0<)< m In the
M+m
monatomic case the whole range corresponds to the
acoustical branch, but in
Or 2(mA + MB) = (M + m) (A + B)
A (m-M) = B (m - M) diatomic case the range 0 < o< 2B
m corresponds to the acoustical branch, and
A
and finaly, =+1.
B the range 2ß < o'<
4
to the
Hence, in this case, the two masses (and their m optical branch. There is no forbidden gap
same direction with the same amplitude as shown incentre mass) move in the
of between the two
is independent of the mass of the either fig, III (6). This amplitude branches.
2. As the heavy mass M
atom. So we see that in the optical case increases, the acoustical branch yields downward
 (Semester-VI| 43
(Prog.) II Year Physics Elementary Lattice Dynamics
Amar: B.Sc. case M’ o
th.
the extreme As the value of K decreases down n/2a, both the sublattices begin to
in fig. IV and +
42
flatten itself. In
optical branch tends to to the AT-axis as shownfrequency (28/m vibrate.
and the vields completely on a single
acoustical branch and represents beho 5. In the diatomic lattices (having two atoms per primitive cell) we see that
the lattice
flattens completelymeans that each atom ofoscillates
optical branch this at its . the allowed frequencies are split into bands corresponding to acoustical and
for all values of K.Physically
isolated from its neighbours
and
employs this modal optical branches. If there are N atoms per primitive cell, the allowed frequencies
as ifitis
completelv free,
Einstein's theory of specific heat
frequency bands got would be split into N bands. This applies topolyatomic lattices.
V(2B/m). allowed
natural frequency Further, we note that the enereies a Normal modes : It is of interest to calculate the number of possible normal
lattice vibrations. similar situation arises with the solid an modes of vibration in a band when we consider a crystal of finite length L. Since
of 'levels'.An exactly are bound into a
compressed into bandswhen the atoms we have employed the running wave picture, it would be convenient to use
electrons. We get energy periodic boundary conditions, For a linear crystal of length L the boundary
they are free.
energy levels when condition thus becomes
(x) =u,n (x+ L)
V28/m Making use of (ii), this requires
Ap'(ot- 2Kna) Ai lot-2K (na + L))
optical branch
Or 2iKL = 1.
2 37 N
-I/2a
0 N/2a
K K= T L 2L
...(xii)

Acoustical branch where N is the number of unit cells in the crystal so that Na = L. The
Fig. IV
upward. In the NI
As the light mass m'decreases, the optical, branch shifts acoustical branch maximum value of K hasbeen taken to be so as to keep it equal to 2a
3. disappears completely. The
extreme case m ’0, and then, it be expected because with m approaching We see from (xii)that there are Nallowed values of K. Since each value of K
to
is not affected, however. This is lattice with a lattice constant 2a. represents a normalmode, we conclude that the total number of possible normal
return to the monatomic modes in any band is equal to N i.e. the number of unit cells.
zero we
Vshows the amplitude ratio K=+ B/A as a function of the
4. The adjoining figurebranches. We observe that at /2a the ratioB/ Significance of thetheory:The theory indicates that the crystals cannot
wavevector Kfor the two acoustical branch. We may conclude propagate all the frequencies; they allow only those frequencies which happen
infinite for
Ais zero for optical branch and m'are all at rest (A=0) to fall in the
allowed bands. These allowed bands are separated from each other
branch the light atoms
from this that in the acoustical are at rest (B = 0). In other by forbidden bands. It also provides the indication that there exists frequency
heavy atoms 'M
and in the optical branch the only one of the sublattices is vibrating banding in periodic structures. The energy in a lattice vibration is quantized
words, at the edge of the Brillouin zone heavy atoms and in the optical we quantize the energy in a particular mode of vibration according to the
lattice of the
in the acoustical branch it is the this limit there is essentially no prescription
branch it is the lattice of light atoms. Thus, in the two modes have different Q. 3. (a) Describe quantization of Lattice vibrations.
modes. However,
distinction between the two
represent standing waves having Ans. Quantization of Lattice Vibrations : The energy in a lattice vibration
frequencies if the masses are not all equal, and
a phase difference of n/2.
BIAA
is quantized :we quantize the energy in aparticular mode ofvibration according
to the prescription
E = nh o, ...)
For acoustical brach
where n is a positive integer or zero, h =h/2n = 1.05 x10-2 erg-sec (h is
Planck's constant)and o = 2nv is the angular frequency. We can say that the
energy of a mode of vibration has to be equal to an integral multiple of the unit
hw. This unit or quantum of energy in our present discussion is called a 'phonon'
in analogy with the photon which is the quantum of electromagnetic energy.
/2a T/2a
We call n as the number of phonons in the mode under consideration. Different
For optical branch
modes have different number of phonons and the average number of phonons
m/M in a mode is given by
Fig. V
 Physics
[Semester-VI]
(Prog.) III Year
44
Amar : B.Sc. Elementary Lattice Dynamics 45
where K is the wavevector of the phonon.
1 crvstal momentum. A phonon on a lattice does notSometimes hK is called the
n exp (ho/kp T) of tho really have any momentum
and T the absolute temperature in the physical sense, but for most
practical purpose it acts as if were carrying
Boltzmann constant a momentum hK.
Here k, is the vibrationg Q.4. Describe Einstein's theory of specific heat of
phonons : thermal
crystal.
lattice vibrations are composed of are acoustic phonons Ans. Einstein's Theory of Specific Heat of Solid: solid.
Allkinds of
thermally excited phonons, sound waves Al the phonons law has been explained by Einstein in 1907 Dulong and Petit's
in crystals are in optical phonons.be increased hy
optical branch resultsTheir
for the first time on the basis of
quantum theory of heat radiation. According toquantum theory,
andthe excitation of the number can heat is radiated
of a crystal. temperature. The concent inthe form of discrete particles called
contribute to the warming up decreased by lowering the applies equally well to to hu where h is the Planck's constant and photons. Each particle has energy equal
raising the temperature and photons, vis the frequency of heat radiation.
of the wave-particle duality, which applies to twO phonons or that between a Einstein proposed his theory under following assumptions :
interaction between
phonons also : in fact, the collision between twO Assumptions :
phonon and an electron can clearly,be treated as a scatteringparticles requiring the 1. A solid is constituted of atoms. At
indistinguishable absolute zero of temperature, these
particles. The phonons are, describing their distribution among
the atoms are at rest under the action of mutual
Bose-Einstein distribution function for energy of the solid in this state is zero. When attractions and repulsions. The
the temperature is raised i.e.,
system.
allowed energy states of the evidence that the energy of an elastic
heated, the atoms are set into vibrations about their mean
position of equilibrium
There is, however, no experimental forceful under the action of restoring force, and
Despite this we have the following of these vibrations is one and the same hence executes S.H.M. The frequency
wave is quantized in this fashion. i.e., natural or characteristic frequency
evidence : of the particular solid under
1. The approach of the lattice heat
capacity to zero as the temperature 2. Each atom ofsolid has 3consideration.
approaches zero can be explained only if the lattice vibrations are quantized. degrees of freedom like a monatomic gas molecule.
3. The mean energy per degree of
the quantization of lattice vibrations in terms freedom is not kT as given by equipartition
This was the earliest evidence for hu
of phonons. by crystals. The change law but holkT as calculated by using quantum
2. X-rays and neutrons are scattered inelastically to the gain or loss of one -1 theory.
corresponds
of energy and momentum in this process Theory : Every atom has
strongest evidence for phonons. By 3 degrees of freedom, assuming gas
or more quanta of energy. This provides the
momentum of the scattered x-rays or
monatomic. to be
measuring the changes in energy and
properties of individual phonons.
neutrons, we can study the 3hv
vibration energy .. the energy of each atom =
Consequence of Quantization. The quantization of the latticeor loss of energy ehu/kT -1
gain
has an important consequence in connection with the Snce the energy of a The energy content of one gram of atom of the
when a lattice vibration is involved in an interaction. is given by solid consisting of N atoms
mode of vibration has to be nho with n any positive integer, and since to a first
order approximation the energy changes only to adjacent allowed values (a 3 Nhu
quantum-mechanical result), we must have E pholkT -1
AE = + ho
corresponding to An = + 1. Therefore, the atomic heat at constant volume will be
Accordingly, the energy change consists of a gain (+) or loss (-) of only a
single phonon at a time This should mean in neutron scattering, for example, dE -1 -hu
Cv = -3 Nh ghulkT
that the change in the energy of the incident neutron must be + ho in each dT (phul kT 1
scattering event, i.e., it must lose or gain only one phonon in each event.
Q.3. (6) What isphonon momentum ? 3NH?2 ehu/kr
Ans. Phonon Momentum: We can associate a momentum pwith phonons
by using the de Broglie relation KT? (ehkT - 1)²
etulkT hu
2
P= = hK.
..(1)
 (Semester-VI] 47
Physics Elementary Lattice Dynamics
III Year
Amar B.Sc. (Prog.)
as Therefore, from equation (1), we have
46
conveniently written
This equation can be pO/T hu
...(2) 3R1 2
C = 3R (eT-)2(T kT hu
C= kT
gram atom
constant for a kT
Nk = R, gas
where
hv
=
(hu
by . and ...(3)
and is represented
particular solidSimilarly
good fit for a corresponding
ofvgiving frequency
The valueEinstein's for that solid.tenperature. Here Ahas hu
called the called Einstein's As T-0, T ’0, Hence C = 3R.Thus, this result agrees well with the
is
to U is
represented by ,and is solid ot
the dimensions of tenmperature. equation for the atomic heat of thefunction experiment and Dulong and Petit's law.
Einstein's heat is a
Equation (1) is theequation (2), it is clear that the atomic
atomicheat ofsolids hu
constant volume. From experimentally observed variation of (2) At very low temperatures : When T ’0, kT tends to infinity and
of temperature. The
are as follows : the constant value hence l may be neglected in the expression (elkT 1. Then, the equation (1)
temperatures, the atomic heat approaches becomes
1. At high
Dulong and Petit's law. temperature and tends to
3R, as given by decreases with decreases of phulkT hy )2
2. The atomic heat C = 3R
zero at absolute zero of
temperature. (ehulkT j2 T
curves drawn for atomic heat against temperature
3. The experimental substances as shown in Fig.
the same form for all 2
show that the curves have 3R
1 hv
AluR
S i v(
eAr g) phvlkT kT
constant
volumo.
atHoat
Atomic
2
hu
4
kT
3R
2
hu hu
kT 2! kT kT
200 400 600 800 100o 1200
Absolute Temperature.
experimentally observed facts 1
Discussicn :Lot us now explain the above 3R
on the basis of Einstein's equation (1).
hulkT approaches to very
1.At high Temperature :At high temperatures, 1 1
+
1(hu
small values so that we may write as hu hu 2 3!*T ...(4)
2 kT kT)
hu 1(hu 2 -1
(ehuT1'=1+ kT 2! T
...

As T ’ 0, ’ o. Hence C,, 0 i.e.. the atomic heat tends to zero as

\2 temperature approaches to absolute zero. This is again in good agreement with
= experimental results and Dulong and Petit's law.
48 Amar : B.Sc. (Prog.) II Year Physics [Semester-VI)
3. According to Einstein's equation (1),the atomic
differ only because of different U,, the heats of different element.:
temperatures, such that the ratio v/Tcharacteristic frequency. At corresponding
is same for all solids, then from
(1), the atomic heat will also be same for all equation
solids. Thus, the
This argument alsoexperimental
curves have the same form for all
substances. fits with the
experimental fact and Dulong and Petit's law.
Hence Einstein's theory predicts the correct
elements as observed experimentally. In othervalues of atomic heat for various
good agreement with the words, Einstein's theory is in
experimental facts.
Linitations of Einstein's
(i) Although the values of Theory:
atomic
with the experimental heats agrees will at very high and very low
temperatures
does not exactly follow. Some curves, but the variations in
atomic heat at low elements like copper, aluminium,between them
the Einsteins theory. temperatures decreases more rapidly than thatiron etc. the
expected by
(a) The
and they all assumptions that the
have one and the samevibrations of all atoms are simple
is not valid. In fact, the harmonic
in nature,frequency
of an atom are
large number of complex because it is under the field of force vibrations
neighbouring
(iii) In Einstein's theory, vibrating atoms.
due to
empirically and frequency v and hvlkT
cannot be verified from any other have been obtained
independent physical data.