Lecture 1: Harmonic crystals

Christopher Mudry

Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland.

(Dated: September 6, 2001)

Abstract
Classical equations of motion for a nite chain of atoms are solved within the harmonic approximation. The thermodynamic limit is constructed in terms of a one-dimensional (classical) eld theory. Quantization of the nite harmonic chain is undertaken. The thermodynamic limit is constructed in terms of a onedimensional quantum eld theory describing phonons in a one-dimensional lattice.

Electronic address: Christopher.Mudry@psi.ch; URL: http://people.web.psi.ch/mudry

I. CLASSICAL ONE-DIMENSIONAL CRYSTAL

A good reference for this section is chapter 12 of [1].

A. Discrete limit

For simplicity, I will consider a one dimensional world made of N point-like objects (atoms) of mass m and interacting through a potential V . I assume rst that the potential V depends only on the coordinates n

Furthermore, I assume that V has a non-degenerate minimum at

where a is the lattice constant. For example, one could imagine that
1

n 1 2

n 1

For small deviations n about minimum (1.2), it is natural to expand the potential energy according to
1

n 1

boundary terms

The dimensionfull constant is the elastic or spring constant. It measures the strength of the linear restoring force between nearest neighbor atoms. The characteristic frequency measures the strength of an external force that pins atoms to their equilibrium positions (1.2). To put it differently, m2 is the curvature of the potential well that pins an atom to its equilibrium position. nearest neighbor relative displacement n

A @

Terms that have been neglected in

are of several kinds. Only terms of quadratic order in the

1

n have been accounted for, and all interactions 2

&

( 0 

   

5 ! "

V 1

V 1

  5

N 1

boundary terms

n 2

1 87

( )

9 & % 5

&

a 2

m2 1

cos

2 n a

N 1 m2 n 2 n 1

3 421

( 0  )

&

5 $ # 5 $ # "   !  

V 1

a 2

N 1

' %

na

   
n 1 N
1 cos 2 n a n

  5 

,n

N, of the N atoms: V V 1 N (1.1)

(1.2)

(1.3)

5 

(1.4)

beyond the nearest neighbor range have been dropped. I have also omitted to specify boundary

the choice of boundary conditions should be immaterial since the bulk potential energy should order L0

1. To minimize boundary effects in a nite system, one imposes periodic boundary

conditions
N

An open chain of atoms turns into a ring after imposing periodic boundary conditions. Furthermore, imposing periodic boundary conditions endows the potential with new symmetries within the harmonic approximation dened by1
1

First, the shift of labelling

leaves Eq. (1.7) invariant. Second, translational invariance is recovered in the absence of the pinning potential:

The kinetic energy of an open chain of atoms is simply given by

As for the potential energy, the choice of boundary conditions only affects the kinetic energy by terms of order L0 . It is again natural to choose periodic boundary conditions if one is interested in extensive properties of the system.
1

Without loss of generality, I have set the classical minimum of the potential energy to zero:

c X e db a2Y2Y`YX W

V 1

 V

U F

C T

S F

D

E 

T 1

1 N d n m 2 n 1 dt

1 N m n 2 n 1

E 

 D 

P Q

Vharmonic 1

Vharmonic 1

xa

xa

 R G 

D

 

I G H

E 

A @

E 

Vharmonic 1

N :

2 n n 1
N

 D

be of order L

Na, whereas the energy contribution arising from boundary terms should be of

N 1 m2 n 2 n 1

(1.10)

terms. They are specied once boundary conditions have been imposed. In the limit N

(1.5)

(1.7)

(1.8)

(1.9)

(1.6)

tions is dened by subtracting from the kinetic energy (1.10) the potential energy (1.7)
1

n 1

The classical equations of motion follow from Lagrange equations

They are

with the complex traveling wave solutions

Imposing periodic boundary conditions allows to identify the normal modes. These are countable many traveling waves with the frequency-wave number relation

The most general real solution of Lagrange equations (1.13) obeying periodic boundary conditions is

l 1

Here, the complex valued expansion coefcient Al is arbitrary. To revert to the Hamilton-Jacobi formalism of classical mechanics, one introduces the canonical momentum n conjugate to n through

l 1

and construct the Hamiltonian

E 

A @

m2 n

h 

 E 

1 2 n 1

n m

Al e

rv

im l Al e

i q i Ar i q @

 

n t :

i kl n l t

i kl n l t

 

u F

 

n t

Al e

wvr i q i E r i q @

i kl n l t

Al e

i kl n l t

 

E d

A 

s t

1 m

cos kl

kl

2 l N

E d

A 

r i q

n t ei kn

1 m

cos k

A p

A i

E @

 

mn

2n

m2 n

 D

S S T f T f

d dt

A 

A @

 A V

U g

m n

m2 n

 h 
2

The classical Lagrangian

in the harmonic approximation and with periodic boundary condi-

(1.11)

(1.12)

(1.13)

(1.14)

(1.15)

(1.16)

(1.17)

(1.18)

from the Lagrangian (1.11) through a Legendre transformation. Hamilton-Jacobi equations of motion are then n n n

The pinning potential characterized by the potential wall curvature has opened up a gap in the spectrum of normal modes. No solutions to Lagrange equations (1.13) can be found below the characteristic frequency . By switching off the pinning potential, simplies to 2 k m l

velocity of propagation of a sound wave in the one-dimensional harmonic chain.

B. Thermodynamic limit

to external perturbations as can be induced, say, by compressions. Of course, the characteristic wave lengths of typical perturbations in daily life are much larger than the atomic separation. Hence, the elastic response from a solid to a macroscopic perturbation is dominated by normal

for the discrete nature of the solid as is done in the Lagrangian (1.11). To this end, Eq. (1.11) is rst rewritten as a 1 m a 2 a n n 1
N 2

n 1

n 1

f g :

e e

c X

The Poisson bracket f g of two functions f and g of the canonical variables n and n is dened by

aLn

f g n n

f g n n

 

A T

A @

modes with arbitrarily small wave numbers k

A V

The thermodynamic limit N

The proportionality constant

m between frequency and wave number is interpreted as the

emerges naturally if one is interested in the response of solids

0. It is then much more economical not to account

   E

2 l

kl4

m 2 n a

   E

2 l

In the long wave number limit kl

where

stands for the Poisson brackets.2 2 k m l

1, the dispersion relation reduces to 2 kl4 (1.21)

0, the dispersion relation


2

y
n 1 N (1.19) (1.22) (1.23)
(1.20)

Interpret

as the mass per unit length, the elongation per unit length, the Youngs modulus,3 and the local Lagrangian per unit length, respectively. Now write
L

L 0

whereby the following substitutions have been performed:

0 L.

The relative displacement n at time t has been replaced by the value of the real function at space-time coordinates x t obeying periodic boundary conditions in space:

The time derivative of the relative displacement n at time t has been replaced by the value of the time derivative t at space-time coordinate x t .

the value of the space derivative x at space-time coordinate x t .

space-time. From it, one obtains the continuum limit of Lagrange equations (1.12) according to t x

For an elastic rode obeying Hookes law, the extension of the rode per unit length is proportional to the exerted force F with the Youngs modulus Y as the proportionality constant:

         "g  "g 

E      "g 

The integrand

in Eq. (1.26) is called the Lagrangian density. It is a real valued function of

xt t y t

xt x y t

xt y t

 

A @

The discrete difference n

n at time t has been replaced by the lattice constant times

 

 

 E 

Lt

xt

0L

 I G

The discrete sum n has been replaced by the integral

j j

 

dx

dx a over the semi-open interval

A T

A T

dx

1 2 t

2 2

f f

A @
1

m a

Y : a

and

Ln

(1.24)

(1.26)

j j

h h h h h

(1.27)

(1.28)

(1.25)

the given space-time coordinates x t induced by Taylor expansion,

One must keep in mind that , x , and t , are independent variables. Moreover, one must use the rule x t y t that extends the rule x x t y t

dx
0

Equations of motion (1.13) become the one-dimensional sound wave equation

after replacing the nite difference

1 1 1

by a2 times the value of the second order space derivative 2 at space-time coordinates x xt .

The Hamiltonian

in the continuum limit follows from Eq. (1.26) with the help of a (functional)

Legendre transform or directly from the continuum limit of Eq. (1.18),

L 0

where the eld is the canonically conjugate to :

   

f  

xt :

dy

     "g  

ut

dx

yt t x t

t x t

E T

1 2 dx 2

2 2

 i

 A  s

A @

 E

A i

E @

2n

t2

v2 2 x

v:

to the continuum. Otherwise, all the usual rules of differentiation apply to

D

P Q p

m n

m n

m 1 n

j j

   

0L

  j

  j  l

  

x x t t x t x t

(1.29)

(1.30)

(1.31)

(1.32)

(1.33)

(1.34)

(1.35)

  E  E    o n  g    g  E g l E  E   l  "g A j       n  E mk g l g    P f Q  A      q y y

 

 "g 

Here, the symbol

x t is to be interpreted as the innitesimal functional change of

at

 

C. From sums to integrals

As we have seen, probing the one dimensional crystal on length scales much larger than the lattice spacing a blurs our vision to the point where the crystal appears as an elastic continuum. eld x where x can be any real number provided N is sufciently large. Viewed without an atomic microscope, the relative displacements n , n

The basic mathematical rules for this blurring or coarse graining is that for functions f that vary slowly on the lattice scale,

In particular,

justies the identication

the reciprocal of the lattice spacing, i.e., the number of normal modes in reciprocal space per unit volume 2 N in wave number space:

How does one go from a discrete Fourier sum to a Fourier integral? Start from

l 1

m n

the left hand side should be identied with

m na 2 a 0

r i q

if z {r i q

dk ik x e 2

f BA r i q

1 N i kl e a L l 1

dk ik x e 2

(1.42)

 A 

Since the right hand side should be identied with x

 p

r i q

1 N ikl e L l 1

m n a

y in the thermodynamic limit N

Multiply both sides of this equation by the reciprocal of the system size L

r i q

eikl m

Nm n

kl :

2 l N

A @

1 a

kl

kl

1 2 N

 

Equation (1.38) tells us that the divergent quantity x

  A 

BA p

m n a

0 in real space should be thought of as

kl :

2 l N

   A 

f  

  p

 

f ma

na

A B v  p

m n f

m n f na a

  

f A wB v 

na

dx f x a

f y

dx x


y f x Na:

N, become a

 

(1.36)

(1.37)

(1.38)

(1.39)

(1.40)

(1.41) ,

whereby

to convert a nite summation over wave numbers into an integral over the Brillouin zone (recipslowly varying function on the lattice scale a, its Fourier transform f k will be essentially van-

the right hand side of Eq. (1.44). We then arrive to the desired integral representation of the delta function in real space,

Observe that factors of 2 appear in an assymetrical way in integrals over real x and reciprocal k spaces. Although this is purely a matter of convention when dening the Fourier transform,

there is a physical reasoning behind this choice. Indeed, Eq. (1.44) implies that dk 2 has the physical meaning of the number of normal modes in reciprocal space with wave number between of the system

as is inferred from

II. QUANTUM MECHANICAL ONE-DIMENSIONAL CRYSTAL A. Reminiscences about the harmonic oscillator

I now turn to the task of giving a quantum mechanical description for a non-dissipative onedimensional harmonic crystal. One possible route consists in the construction of a Hilbert space and of operators acting on it whose expectation values can be related to measurable properties of 9

if  

if  

dk ikx e 2

2 k

dx eikx

in reciprocal space has the physical meaning of being the divergent volume L

 

k and k

dk per unit volume L in real space. Correspondingly, the divergent quantity 2 k

 p 

 

if  A 

r i q

dk ik x e 2

~ } }

ishing for k

1 a. In this case, the limits

a can safely be replaced by the limits

 

 

rocal space)

a as the thermodynamic limit N

 

y i |B v  f A y @

E A j j

 A 

1 2 if N is odd. Hence, it is permissible to adopt the more symmetrical rule 1 N f kl L l 1

a

dk f k 2

E A

equally well be chosen to run between

N 2

1 and

N 2 if N is even or

L a

is taken. Now, if f x is a on

 A  A
N

To see this, recall rst that the periodic boundary conditions tell us that l

 A
1

BA  A 

BA

kl a

na

(1.43) N could have 1 2 and

(1.44)

(1.45)

 

(1.46)

the crystal.4 In this setting, the time evolution of physical quantities can be calculated either in the Schr dinger or in the Heisenberg picture. I will begin by reviewing these two approaches in the o context of a single harmonic oscillator. The extension to the harmonic crystal will then follow in a very natural way. quadratic well with curvature 2 is

dx t dt dp t dt

Solutions to the classical equations of motion are

pt

A sin t

B cos t

The energy E of the particle is a constant of the motion that depends on the choice of initial conditions through the two real valued constants A and B:

In the Schr dinger picture of quantum mechanics, the position x of the particle and its canonical o conjugate p become operators x and p that act on the Hilbert space of twice differentiable and square integrable functions :

and obey the commutation relation

The time evolution (or dynamics in short) of the system is encoded by Schr dinger equation o

Another route to quantization is by means of the path integral representation of quantum mechanics as is shown in appendix B.

10

 

 

i t x t

H x t

x p :

xp

px

j l

1 2 A 2

B2 2

   j

 

Al En  E n 

   

xt

   A A     y E y  

A cos t

Hamilton-Jacobi equations of motion are

p x

B sin t

r
pt 2 x t

1 2 p 2

2 x2

The classical Hamiltonian that describes a single particle of unit mass m

1 conned to a

(2.1)

(2.2)

(2.3)

(2.4)

(2.5)

(2.6)

 where the quantum Hamiltonian H is given by

given. Solving the time-independent eigenvalue problem

is tantamount to solving the time-dependent Schr dinger equation through the Ansatz o x e
int

The expansion coefcients cn

are time-independent and uniquely determined by the initial

The energy eigenfunctions n x are Hermite polynomials multiplying a Gaussian:

. . .

The Heisenberg picture of quantum mechanics is better suited than the Schr dinger picture to a o generalization to quantum eld theory. In the Heisenberg picture and contrary to the Schr dinger o picture, operators are explicitly time-dependent. For any operator O, the solution to the operator equation of motion5

The assumption that the system is non-dissipative has been used here in that H does not depend explicitly on time: t H 0.

 l j   

dO t dt

Ot H

11

 

n x

 

2 x

 

1 x

 

0 x

S U g T S A V y y h U U V V A i y U V g i y h U i V y

1 4 1 x2 e 2 1 2 4 3 14 xe 2 x 14 2 2 x 1 e 4 1 n n! 2
n 1 2

S T E

1 x2 2

1 4

 I

 

 

condition, say x t

0 . As is well known, the energy eigenvalues n are given by 1 2 (2.10)

 y

i  

 

xt

cn n

 

 

Hn x

n n x

d dx

1 x2 2

 

The time evolution of the wave function x t is unique once initial conditions x t

 

r

1 2 p 2

2 x2

(2.7) 0 are

(2.8)

(2.9)

(2.11)

(2.12)

that replaces Schr dinger equation is o

By denition, the algebra obeyed by operators in the Schr dinger picture holds true in the Heiseno berg picture provided operators are taken at equal-time. For example, xt : e
i Ht

xt

0 e

i Ht

pt : e

obey by construction the equal-time commutator xt pt i

Finding the commutator of x t and p t at unequal times t

the system, i.e., Eq. (2.12) with O substituted for x and p, respectively:

In other words, the Heisenberg operators x t and p t satisfy the same equation of motion as the classical variables they replace:

The solution (2.3) can thus be borrowed with the caveat that A and B should be replaced by time independent operators A and B. At this stage, it is more productive to depart from following a strategy dictated by the real valued classical solution (2.3). The key observation is that the quantum Hamiltonian for the harmonic oscillator takes the very simple form6 H

and a t of operators dened by

Observe that I am anticipating that H does not depend explicitly on time.

12

E n 

pt

ia t

ia t

 v 

E  

xt

at

a t

(2.19)

 

if the pair of canonically conjugate Hermitean operators x t and p t is traded for the pair a t

 

  E h n    g

a t a t

v 

 

 

2 x t

pt

1 2



 s 

 s 

E 

d2x t dt 2

       A     E  

dx t dt dp t dt

i   @  

i Ht

pt

2 x t

 I G

Ot

  i  @ 
e
i Ht

Ot

0 e

i Ht

(2.13)

    j     l

i   @  

pt

0 e

i Ht

(2.14)

(2.15)

t requires solving the dynamics of

(2.16)

dx t dt

(2.17)

(2.18)

 

Once the equal-time commutator a t a t is known the Heisenberg equations are easily derived from

With the help of at

a t one veries that

xt pt

xt xt

pt pt

a t a t

The change of Hermitean operator valued variables to non-Hermitean operator valued variables now proves advantageous in that the equations of motion for a t and a t decouple according to

now explicitly given by

space can now be constructed explicitly with purely algebraic methods. The Hilbert space is dened by all possible linear combinations of the eigenstates

n!

13

a }

Q }

n :

Hn

n n

 m

As must be by the absence of dissipation, H is explicitly time-independent: t H

pt

2 i ae 2 1 a a 2

it

xt

ae

it

a e

it

a e

it

   

V @ V @

S  T E U i s A   U s  

a } } r q

 

Below, I will write a for a t

0 and similarly for a . The time evolution of x t , p t , and H is

 

i a t

 

i a t

at

 @     i    

E   A  

da t dt d a t dt

at

0 e

a t

a t

0 e

c X c X e b W b W b W b W

it

it

 

A g h   p  s   E h   n  g s  

 

X b W b W b W b W b W b W c X c X c X

    l  j j     l
at H a t H xt 2 xt 2 i pt pt i
at at a t a t

  j   l

da t dt d a t i dt

(2.20)

(2.21)

X b W b W c X

(2.22)

(2.23)

(2.24) 0. The Hilbert

(2.25)

Here, the ground state or vacuum 0 is dened by the condition

One veries that 0 x in Eq. (2.11) uniquely satises Eq. (2.26) by using the real space representation of the operator a.

B. Discrete limit

In the spirit of the Heisenberg picture for the harmonic oscillator and guided by the Fourier expansions in Eqs. (1.16) and (1.17), I begin by dening the operators al e a e l a e l

and the operator valued expansion coefcients al and a obey the harmonic oscillator algebra l

l 1

that shows up when one veries that the equal-time commutators

hold for all times. I am now ready to consistently dene the Hamiltonian H for the quantum one-dimensional harmonic crystal [compare with Eq. (1.18)]

n 1

H :

n t

n t

2 n t

14

   l j

E   j

A p  @ l E   l j

m t n t

i m n

j     j     l l

m t n t

m t n t

r i q

p j    l

The normalization factor 1

N is needed to cancel the factor of N present in the Fourier series

eikl m

Nm n

al a l

l l

al al

a a l l

l l

j j l l

E n

A 

j l

2 1

cos kl

kl :

2 l N

(2.28)

(2.29)

(2.30)

mn

(2.31)

(2.32)

where the frequency l and the integer label l are related by Eq. (1.15), i.e., (remember that m

A  

rv

i q i

Ar i q @

n t :

1 N Nl 1

l al e 2

2l

i kl n l t

2vr i q i

Er i q @

 

n t :

1 N Nl 1

i kl n l t

 Q }
i kl n l t i kl n l t

a0

(2.26)

 

(2.27) 1)

 With the help of the algebra (2.29), one veries that H is explicitly time-independent and given by

l 1

Next task is to construct the Hilbert space for the one-dimensional quantum crystal by algebraic methods. Assume that there exists a unique state 0 , the ground state or vacuum, dened by

If so, the state

l 1

is normalized to one and is an eigenstate of H with energy eigenvalue

nN

l 1

The ground state energy is of order N and given by

said to have n1 phonons in the rst mode, n2 phonons in the second mode, and so on. Phonons can be thought of as identical elementary particles since they possess a denite energy and momentum. Because the phonon occupation number

is an arbitrary positive integer, phonons obey Bose-Einstein statistics. Upon switching on a suitable interaction [say by including cubic and quartic terms in the expansion (1.4)], phonons scatter off one other just as other -ons (mesons, photons, gluons, and so on) known to physics. Although we are en route towards constructing quantum elds x t out of n t we have encountered particles. The duality between eld and particle is the essence of quantum eld theory. The vector space spanned by the states labelled by the phonon occupation numbers

n1

nN

in Eq. (2.35) is the Hilbert space of the one-dimensional quantum crystal. The

mathematical structure of this Hilbert space is a symmetric tensor product of N copies of the harmonic oscillator Hilbert space. In physics, this symmetric tensor product is called a Fock space when the emphasis is on the phonon as an elementary particle. 15

 

D D }

 

} D D

nl

n1

nl

nN a al n1 l

nl

nN

D }

Excited states have at least one nl

0. They are called phonons. The eigenstate n1 n2

pp

1 N l 2 l 1

S  T E

pp

n1

l nl

1 2

} V

 }

n1 n2

nN :

 D

Q }

al 0

1 a nl ! l

 T E
N

l a al l

1 2

(2.33)

(2.34)

nl

(2.35)

(2.36)

(2.37) nN is

(2.38)

"  D 

C. Thermodynamic limit

established in the context of the classical description of subsections I B and I C. Hence, with the identications7

n 1

kl n al

n t

a x t

the canonically conjugate pairs of operators n t and n t are replaced by the quantum elds

respectively.8 Their equal-time commutators follow from the harmonic oscillator algebra

They are xt yt i x y

volume factor Na in N l

Na

dk 2 .

16

bX W

d b W

bX W

b W

dd

Limits of integrations in real and reciprocal spaces are left unspecied in order to distinguish whether L Na is held xed or not in the thermodynamic limit N , i.e., whether the continuum limit a 0 is simultaneously taken or not. 1 The substitution rules al a k , n t a x t , and n t a x t , are needed to cancel the Na

         l l j j

d b W

 A 

a k a k

2 k

xt yt

         l l j j

 A  j    l

f A  

xt :

a k e

a k e

ak ak

a k a k

xt yt

r q i i  

j    l

 

xt :

2 k k 2

a k e

a k e

dk 2

i kx k t

r q i i  

Arq i @     s Er q i @    

dk 2

i kx k t

 

 

 

n t

kx 1 ak Na a x t

i kx k t

i kx k t

A l

cos ka

    s  

A B   B Av  BA BA BA

E   j

f |B A

1 N Na l 1

dk 2

f |B A

dx

v2 1 a2

Taking the thermodynamic limit N

is a direct application to subsection II B of the rules

v2 k2

2 if ka

1,

(2.39)

(2.40)

(2.41)

(2.42)

The Hamiltonian is

The excitation spectrum is obtained by making use of the commutator between a k and a k . It is given by

and is observed to vanish for the vacuum 0 . The operation of subtracting from the Hamiltonian the ground state energy E0 is called normal ordering. It amounts to placing all annihilation operators a k to the right of the creation operators a k . The ground state energy

1 modes modes 2

are taken, the absence of an upper cut-off in the k integral can cause the zero point energy density E0 L to diverge as well. Divergences of E0 or E0 L are only of practical relevance if one can control experimentally k or the density of states modes and thereby measure changes in E0 or E0 L. For example, this can be achieved in a resonant cavity whose size is variable. If so, changes of E0 with the cavity size can be measured. These changes in the zero point energy are known as the Casimir energy. Another possibility to measure E0 indirectly occurs when some internal parameters entering the microscopic Hamiltonian can be tuned so as to lower E0 to the point where E0 becomes negative thereby signalling an instability associated to spontaneous symmetry breaking (the vacuum 0 is not non-degenerate anymore when E0 is the case in cosmological models. 17 0). Finally, divergences of

E0 L matter greatly if the energy-momentum tensors of matter elds are dynamical variables as

 

Second, even if L

Na is kept nite while both the infrared N

 

infrared divergent due to the fact that 2 k

0 is the diverging volume L

and ultraviolet a

cut-off to the integral over reciprocal space at the Brillouin zone boundaries

can be ill-dened for two distinct reasons. First, if N

with a held xed, there exists an upper a and E0 is only Na in real space. 0 limits

 

Volume in real space

f x  

 x  f } }

E0 :

0H0 dk 1 k 2 2

     

2 k

 

E0 :

dk k a k a k 2

(2.44)

dk 1 k 2 2

(2.45)

 

 

f f

dx

j  l
2

1 t x t 2 v2 x x t 2 2 x t 2 dk 1 k a k a k a k a k 2 2

 v        E E   l E j

u     j  l

(2.43)

 

D. Higher dimensional generalizations

Generalizations to higher dimensions are straightforward. The coordinates x

and k

in real and reciprocal one-dimensional spaces need only be replaced by the vectors r k

d,

in real and reciprocal d-dimensional spaces, respectively.

APPENDIX A: THE HARMONIC OSCILLATOR ALGEBRA AND ITS COHERENT STATES 1. Boson algebra

The quantum Hamiltonian for the harmonic oscillator is

when represented in terms of the lowering (annihilation) and raising (creation) operators a and a , respectively, that obey the boson algebra a a 1

A complete, orthogonal, and normalized basis of H is given by

where the ground state (vacuum) 0 is annihilated by a:

As it should be if H is to be Hermitean, annihilation a and creation a operators are thus adjoint to each other and represented by an nn 1 a n

man

nm
1

1n

The single-particle Hilbert space

of twice differentiable and square integrable functions on for the annihila-

tion and creation operators a and a , respectively, since the number operator N : a a

18

the real line for the harmonic oscillator can be reinterpreted as the Fock space

 p i E Q } } a E } E Q }

 Q }

a0

S T E Q }

Hn

1n

m a n

1m

rq t p @ Q } } a A } Q }

}   Q }

a n 0 n!

 l j l j

aa

T E

a a

1 2

a a

1 2

1n

and

j l

(A1)

(A2)

(A3)

(A4)

(A5)

(A6)

energy eigenspaces:
1

n 0 1

One possible resolution of the identity 1 on 1

1 1

n 0

n n

More informations on the harmonic oscillator can be found in chapter V of Ref. [2].

2. Coherent states

Dene the uncountable set of harmonic oscillator coherent states, in short bosonic coherent states, by
cs

n 0

The adjoint set is

cs

n 0

Properties of boson coherent states are:

cs

Non-Hermitean operators need not have same left and right eigenstates.

9 ! & ! ( (  % & ! (

n 0

n 1

n 1

n 1 n n 1!

cs

19

n an n! n nn n!

& !

Coherent state

cs

is a right eigenstate with eigenvalue of the annihilation operator a,9

a a e a 0

} }

n!

0 ea :

  }

a }

: e a 0 :

n n n!

  } }
n is

commutes with the Hamiltonian and the Fock space

is, by denition, the direct sum of the

F  } } @ r q t F

{r q t h

(A7)

(A8)

(A9)

(A10)

(A11)

Coherent state cs is a left eigenstate with eigenvalue of the creation operator a ,

cs cs cs cs

,
cs

The action of creation operator a on coherent state cs is differentiation with respect to ,

cs cs cs

cs

cs

cs

mn 0

mn

m n

m n

n 0

n!

There exists a resolution of the identity in terms of boson coherent states,

cs cs

cs cs

Proof:

20

}

if

dRe z

dIm z e

} i

1 1

if @ } i

dz dz e 2i

z z

z z

9 ! & ! a w  & ! 

n n m! n!
m

The overlap cs

between two coherent states is exp ,

{!

d d

d d

cs

(A14)

(A15)

(A16)

! 9 & ! 5 5  0 & ! 5 5 & ! !

n 0 n 0

n a n n! n n 1n n! d d
cs

n 0

d d

a e a 0

n n

1!

The action of creation operator a on coherent state

cs

9
n 1

{! !

h h h h h

(A12)

is differentiation with respect to

(A13)

Write
cs cs

By construction, O belongs to the algebra of operators generated by a and a . Step 1: With the help of Eqs. (A11) and (A14),
cs cs

z does not depend on z so that z can be factorized

Hence, after making use of integration by parts, aO

cs cs

Step 2: By taking the adjoint of Eq. (A19), a O Step 3: 0O0

0.

cs cs

mn

m n

m n

z z

Step 4: Any linear operator from

to

belongs to the algebra generated by a and a . Since

O commutes with both a and a by steps 1 and 2, O commutes with all linear operators from

proportionality factor is 1.

Tr A :

By the resolution of identity Eq. (A16)

By the resolution of identity Eq. (A8)

 } } f i F } } } } f i @ F } } } f @ i F } } @

B |

For any operator A :

to

. By Schurs lemma, O must be proportional to the identity operator. By Step 3, the

n 0

nAn

dz dz e 2i dz dz e 2i dz dz e 2i

z z

n 0

nz

cs cs

z z

cs

zA

n 0 cs

n n

z z

cs

zAz

21

% %

dz dz e 2i dz dz e 2i

z z

0z

( 6 %

dz dz e 2i

9 7 ( 6 ! 7 6  ! (   ! (

a z

az zz z

cs cs

z z

! 

9 ! ! a w !

9 ! ! 

O:

%
z z

dz dz e 2i

(A17)

cs cs

cs cs

za

cs

d dz

cs

d dz

cs cs

(A18)

d dz

(A19)

z0

(A20)

zAn

cs

(A21)

 ordering of A, which is denoted : A :, is the operation of moving all creation operators to the left of annihilation operators as if all operators were to commute. For example,

The matrix element of any normal ordered operator : A a a : between any two coherent

cs

Here, : A z z : is the complex valued function obtained from the normal ordered operator : A a a : by substituting a for the complex number z and a for the complex number z . Dene the continuous family of unitary operators

From Glauber formula10 e e e

which implies that e e e e e

2 2 2 2

a cs

Hence, D is the unitary transformation that rotates the vacuum 0 into the coherent state

More informations on bosonic coherent states can be found in complement GV of Ref. [2].
10

Let A and B be two operators that both commute with their commutator A B . Then, eA eB eA e

22

1 B 2 AB

cs ,

up to a proportionality constant.

} } i

 } i @ i @ i

}  

D 0

2 2

@ i  

2 2

D : ea

(A24)

(A26)

(A27)

(A25)

 

}   }

z : A a a : z

cs

cs

z :A z z : z

cs

ez

:A z z :

  

}   }

states cs z and z

cs

follows from Eqs. (A11), (A12), and (A15), (A23)

 

P Q

 

a aaa

 

 

h h

Any operator A :

is some linear combination of products of as and a s. Normal

a aa

: A : a a aa

a a a

2a a

(A22)

APPENDIX B: PATH INTEGRAL REPRESENTATION OF THE ANHARMONIC OSCILLATOR

m 3

exists a vacuum 0 annihilated by a. With the help of the boson algebra (A2) it is possible to move all annihilation operators to the right of the creation operators in the interaction Hn . Having done polynomial in x a a of degree 2n. For example, a that, Hn is normal ordered, i.e., Hn

In the representation in which H is normal ordered, the canonical partition function on the

n 0

I will now give an alternative representation of the canonical partition function that relies on the use of coherent states. I begin with the trace formula (A21):
cs

For M a large positive integer, write

j M 1

2i

cs cs

Equation (A23) together with Eq. (B4) gives

cs 1 cs

23

S T E r p q

i @

i }

i }

0 e

M :H:

0 M

M :H

0 M

i F

i }

} i

:H:

M :H:

d j d j

 A 

Insert the resolution of identity (A8) M

1 -times,

jj

S  T mE

M 1 :H : M j 0

A

exp

:H :

exp

M 1 :H : M j 0

 }

A

d0 d0 e 2i

0 0

0 exp

: H : 0

cs

j e

M :H:

 }

A

A

A

Z :

Tr exp

Tr exp

:H :

Hilbert space

in Eq. (A7) is dened to be

n exp

:H : n

(B2)

(B3)

(B4)

(B5)

(B6)

 

 E 

: Hn :. Evidently, Hn

: Hn : cannot be written anymore as a a

3

a a a

Of the real parameters m , m

34

2n, it is only required that 2n

0. This insures that there

 V E
3a a a 2a

T E

 E 

Hn

H0

Hn

H0 :

a a

1 2

Dene the anharmonic oscillator of order n

234

by Hn :

2n

(B1)

Hc.

and
cs 1 cs

The operator valued function : H : of a and a has been replaced by a complex valued function : H : of and , respectively. Altogether, a M-dimensional integral representation of the partition function has been found,

j 0

j 0

whereby

partition function

where the so-called Euclidean action SE is given by SE

0

and the complex valued elds and obey the periodic boundary conditions

Hence, their Fourier transform are

The frequencies l are the so-called boson Matsubara frequencies. Convergence of the (functional) integral representing the partition function is guaranteed by the contribution 2n
2n

to the interaction : Hn :. Thus, convergence of an integral 24

 

1 e l l

il

 

 

 f j l

 

exp

 E     E     E j     l     j l i j f  A  l p

1 e l l

It is customary to write, in the limit M

, the functional path integral representation of the

SE

:H :

il

l :

N :

N : 0

 E 

S T E

g F

2i

f

A

exp

exp

Er i

j j

2 l

h  i 

M 1 d

j d j

: H j j M

 D A A
1

i }

i }

j e

S T E r p q
1

i @

M :H:

jj

M :H

j j

1M

(B7)

(B8)

(B9)

(B10)

(B11)

(B12)

(B13)

is the counterpart in a path integral representation to the existence of a ground state in operator language. Quantum mechanics at zero temperature is recovered from the partition function after performing the analytical continuation (also called a Wick rotation)

under which

The path integral representation of the anharmonic oscillator relies solely on two properties of bosonic coherent states: Equations (A8) and (A23). Raising, a , and lowering, a, operators are not unique to bosons. As we shall see, one can also associate raising and lowering operators to fermions. Raising and lowering operators are also well known to be involved in the theory of the angular momentum. In general, raising and lowering operators appear whenever a nite (innite) set of operators obey a nite (innite) dimensional Lie algebra. Coherent states are those states that are eigenstates of lowering operators in the Lie algebra and they obey extensions of Eqs. (A8) and (A23). Hence, it is possible to generalize the path integral representation of the partition function for the anharmonic oscillator to Hamiltonians expressed in terms of operator obeying a fermion, spin, or any type of Lie algebra. Due to the non-vanishing overlap of coherent states, a rst order imaginary-time derivative term always appears in the action. This term is called a Berry phase when it yields a pure phase in an otherwise real valued Euclidean action as is the case, say, when dealing with spin Hamiltonians.11 It is the rst order time derivative term that encodes
11

By writing [compare with Eq. (2.21)] 1 x 2 ip

1 x 2

ip

we can derive the path integral representation of the (an)harmonic oscillator in terms of the coordinate and momentum of the single particle of unit mass m 1, unit characteristic frequency 1, and with 1. The rst order partial derivative term becomes purely imaginary i

25

eb Wb

c ob W b W

d x p

X b W d b W b W c

A  

dt t it t

:H t t :

  j   l

 

X b W b W nb W c

if E E B

SE

iS

(B15)
(B16) (B17)

it

idt

it

(B14)

quantum mechanics in the path integral representation of the partition function. A reference on generalized coherent states is the book in Ref. [3].

APPENDIX C: HIGHER DIMENSIONAL GENERALIZATIONS

The path integral representation of the partition function for a single anharmonic oscillator is a functional integral over the exponential of the Euclidean classical action in 0-dimensional space (B11). The path integral representation of the quantum eld theory of a d-dimensional continuum of coupled anharmonic oscillator is a functional integral over the exponential of the Euclidean classical action in d-dimensional space of the form
0

The classical elds r , and r obey periodic boundary conditions in imaginary time ,

The classical canonical eld conjugate to r t is

Canonical quantization is obtained by replacing the classical elds r t and r t with quan tum elds r t and r t that obey the equal-time algebra

r t r t

rt r t

r t r t

[1] H. Goldstein, Classical mechanics, (Addison-Wesley, New-York, 1980). [2] C. Cohen-Tannoudji, B. Diu, and F. Lalo , Quantum mechanics, (Hermann, Paris, 1977). e [3] A. M. Perelomov, Generalized coherent states and their applications, (Springer, Berlin, 1986).

26

 

         l l j j

 

l  

rt :

t r t

rt

   j   g  

A  

 A  j    l    

dt

d d r r it r

:H r r :

  j   l

 

dt

dd r

At zero temperature, analytical continuation

 E

it of the action yields

  E   

E  

      f f @

d d r r r

:H r r :

  j   l

 

dt

(C1) (C2) (C3) (C4) (C5)

SE

if @i f C j l

f C j l

dd r