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OSCILLATIONS
The lowest order Lagrangian
1
L T V = (Tij i j Vij ij )
(1)
2
which leads via the Lagranges equations
to the following n equations of motion of a
mechanical system near the equilibrium.
Tkj j + Vkj j = 0
(k = 1, ..., n).
(2)
Eigenvalue Problem
These equation of motion are linear differential equations with constant coefficients,
and we thus try an oscillatory solution of
the form
i = Caieit
(3)
where Cai is the complex amplitude of the
oscillations for coordinate i, the scaling
factor C and the frequency being the
same for all coordinates.
(4)
T
.
.
.
V
T
11
11
1n
1n
.
.
.
.
.
.
.
.
.
.
= 0. (5)
.
.
.
.
.
2
2
Vn1 Tn1
. . . Vnn Tnn
The simplified version of the general problem: the appropriate generalized coordinates are the Cartesian coordinates of the
system of point particles multiplied by the
square root of the particle mass (sometimes referred to as mass-weighted coordinates).
The kinetic energy takes the form:
1
1
T = i2 = (~ )2,
(6)
2
2
In this case Tij = ij and
Vij aj = ai,
(7)
(8)
(9)
(10)
Clearly for Cartesian coordinates the metric tensor is the unit matrix I. In more
general case of the curvilinear orthogonal
coordinates (such as polar coordinates) G will
be not unit but still diagonal matrix. The
dot (or scalar) product of two vectors a and
b in Riemanns space is given by
a b aigik bk
aGb.
(12)
ab=
aGb = 0,
(13)
If
the vectorsa and b are called orthogonal.
Furthermore, vector a is said to be normalized to unity if
aa=
aGa = 1.
(14)
(16)
(17)
(18)
(19)
(21)
Normal Coordinates
The general solution for each coordinate
i being a sum of simple harmonic oscillations of the frequencies k is not itself a
periodic function of time. It is possible,
however, to transform i to a new set of
generalized coordinates that are periodic
function of time. Such set of variables is
known as the normal coordinates.
The potential energy can be written as
can be written as
1
1
1
1
1 2 2
V = AV A = = l lk k = l lk k k = k k .
2
2
2
2
2
(23)
In analogous way we obtain for the kinetic energy
1
1
= AT A,
(24)
T = T
2
2
which can be reduced to
1
1
T = = k2.
(25)
2
2
(28)
(31)
x03 x02 = b.
(32)
k
k
0
(34)
V = k 2k k .
0
k
k
The kinetic energy has an obvious form
m
M
T = ( 12 + 32) + 22,
(35)
2
2
or, in matrix form
1
,
T = T
(36)
2
where T is the diagonal matrix
0
0
m
T = 0 M 0
(37)
0
0 m
The characteristic equation , we obtain
2
k m
k
0
2
2
2k M
k = 0.
|V T | = k
0
k
k 2m
(38)
Direct evaluation of this determinant yields
2(k 2m)[ 2M m k(M + 2m)] = 0,
(39)
(41)
M )a2j ka3j = 0,
1j
ka
2j + (k m)a3j = 0.
(42)
(43)
(44)
a12 =
, a22 = 0,
(47)
2m
1
a32 =
,
(48)
2m
For the third mode when (k 2m) 6= 0,
a13 = a33. Combining this with the normalization condition, we obtain
1
2
s
,
a13 = s
,
a
=
23
2m
M
2m(1 + M )
2M (2 + m )
(49)
1
,
a33 = s
(50)
2m
2m(1 + M )
In this case the two edge atoms oscillates
with the same amplitudes, while the central atom vibrates out of phase with them
and has a different amplitude .