Introduction
Phonons
1 Introduction
2 Vibrations of a Classical Lattice
3 Inelastic Scattering from Phonons
4 The Mössbauer Effect
5 Problems
6 Figure Sources
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Vibrations of a Classical Lattice
Phonons
1 Introduction
2 Vibrations of a Classical Lattice
Classical Vibrations in One Dimension
Classical Vibrations in Three Dimensions
Normal Modes
Central and non-central forces
Lattice with a Basis
Second Quantization of Phonons
Phonon Specific Heat
Quantum Theory of Specific heat
Einstein and Debye Models
Beyond the Debye Model
Van-Hove Singularities
Thermal Expansion
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
0
L
Figure 13.1: A one–dimensional chain of ions connected by springs is the setting for
the simplest discussion of phonons.
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
uN = u0 . (13.1)
Mül = K(ul+1 − ul ) + K(ul−1 − ul ). (13.2)
ul = ǫeikla−iωt . (13.3)
kNa = 2πn ⇒ k = 2πn/(Na), n ∈ [0 . . . N − 1]. (13.4)
−Mω 2 ǫeikla−iωt K(eika − 1) + K(e−ika − 1) ǫeikla−iωt
= (13.5)
r
K
⇒ −Mω 2 = K(2 cos(ika) − 2) ⇒ ω = 2 | sin(ka/2)|;(13.6)
M
Analabha Roy (Modified from M. Marder) Condensed Matter Physics MPHYS0306, MPHYS0314 4 / 105
Vibrations of a Classical Lattice Classical Vibrations in One Dimension
First Brillouin Zone:
What range of momenta is physically significant for these sound waves?
ul+1 ǫeik(l+1)a−iωt
= = eika . (13.7)
ul ǫeikla−iωt
The range [−π, π] for the phase ka covers all independent values of the
exponential.
The range of independent k are
π π
− ≤k≤ (13.8)
a a
This is the First Brillouin Zone (FBZ).
We may treat a momentum outside the FBZ by subtracting the integral
multiple of 2π/a that gives a momentum inside the FBZ.
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
1.0
0.8
ω(k)/(2 M/K)
0.6
p
0.4
0.2
0.0
-π -π/2 0 π/2 π
ka
Figure 13.2: The dispersion relation for a one-dimensional lattice with
nearest-neighbor interactions calculated in Eq. (13.6).
In the long wavelength limit, this dispersion is linear, just like sound.
The spectrum is gapless, or, the corresponding excitations are massless,
i.e.
lim ω(k) = mc2 = 0 =⇒ m = 0. (13.9)
k→0
Masslessness arises from the translational invariance of the lattice
(Goldstone modes).
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
Force Constants:
Atoms can interact beyond nearest-neighbours if they are mediated by
the electron Fermi sea.
Each set of ’springs’ connecting atoms ’n’ lattice spacings apart will
contribute to dispersion, but with different ’force constant’ Kn . Thus,
2 X
ω2 = Kn [1 − cos (nka)] . (13.10)
M
n>0
Multiply by cos (mka) and integrate over FBZ
Z −π/a Z −π/a
2 2 X
dk ω cos mka = Kn dk [1 − cos (nka)] cos (mka)
π/a M π/an>0
= −2πKm /(Ma). (13.11)
Thus, we can get Kn from experimental data for dispersion,
Z
Ma
Kn = − dk ω 2 (k) cos (nka). (13.12)
2π FBZ
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
0
L
ul+1
1
ul−1 ul1 ul2
2
M2 M11
a
Figure 13.3: Ions of alternating masses M1 and M2 interacting with nearest neighbors.
Analabha Roy (Modified from M. Marder) Condensed Matter Physics MPHYS0306, MPHYS0314 8 / 105
Vibrations of a Classical Lattice Classical Vibrations in One Dimension
M1 ül1 = K(ul2 − 2ul1 + ul−1
2 ) (13.13a)
M2 ül2 = K(ul+1 l l
1 − 2u2 + u1 ) (13.13b)
⇒ −ω 2 M1 ǫ1 eikla = K(ǫ2 − 2ǫ1 + ǫ2 e−ika )eikla (13.14a)
2 ikla ika ikla
−ω M2 ǫ2 e = K(ǫ1 e − 2ǫ2 + ǫ1 )e (13.14b)
v q
u
√ u M
t 1 + M 2 ± M12 + 2M1 M2 cos ka + M22
⇒ω= K . (13.15)
M1 M2
s
K
ω(k) = ka, ǫ1 = 1; ǫ2 = 1 + ika/2, (13.16a)
2(M1 + M2 )
s
2K(M1 + M2 )
ω(k) = , ǫ1 = M2 ; ǫ2 = −M1 (1 + ika/2). (13.16b)
M1 M2
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
Acoustic Mode
Optical Mode
Time
Space
Figure 13.4: Configurations of atoms in optical and acoustic modes. In the acoustic
mode, atoms within a unit cell move in concert, while in the optical mode they
vibrate against one another in opposite directions.
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Vibrations of a Classical Lattice Classical Vibrations in One Dimension
2.0
Optical Branch
1.5
K/M1
p
1.0
ω(k)/
0.5 ch
n
ic Bra
o ust
Ac
0.0
π -π/2 0 π/2 π
ka
Figure 13.5: Vibrational frequencies
Analabha Roy (Modified from M. Marder)of a chain
Condensed with two alternating
Matter Physics masses,
MPHYS0306, as a
MPHYS0314 11 / 105
