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    Heat Capacity of A Debye Solid

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    July T Widya R
    The document summarizes the Debye theory of heat capacity in solids. It describes how the theory models a solid as a collection of 3N coupled harmonic oscillators representing the vibrational modes of the solid's atoms. The vibrations can be quantized and treated as phonons obeying the Bose-Einstein distribution. Integrating over all phonon modes with a maximum ("Debye") cutoff frequency derived from the total number of modes yields the Debye model for heat capacity, which follows a T^3 dependence at low temperatures in agreement with experimental data.

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    Heat Capacity of A Debye Solid

    Uploaded by

    July T Widya R
    107 views5 pages
    The document summarizes the Debye theory of heat capacity in solids. It describes how the theory models a solid as a collection of 3N coupled harmonic oscillators representing the vibrational modes of the solid's atoms. The vibrations can be quantized and treated as phonons obeying the Bose-Einstein distribution. Integrating over all phonon modes with a maximum ("Debye") cutoff frequency derived from the total number of modes yields the Debye model for heat capacity, which follows a T^3 dependence at low temperatures in agreement with experimental data.

    Original Description:

    Fisika Zat Padat

    Original Title

    Heat Capacity of a Debye Solid.doc

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    The document summarizes the Debye theory of heat capacity in solids. It describes how the theory models a solid as a collection of 3N coupled harmonic oscillators representing the vibrational modes of the solid's atoms. The vibrations can be quantized and treated as phonons obeying the Bose-Einstein distribution. Integrating over all phonon modes with a maximum ("Debye") cutoff frequency derived from the total number of modes yields the Debye model for heat capacity, which follows a T^3 dependence at low temperatures in agreement with experimental data.

    Copyright:

    © All Rights Reserved
    Download as DOC, PDF, TXT or read online from Scribd
    Download as doc, pdf, or txt
    107 views5 pages

    Heat Capacity of A Debye Solid

    Uploaded by

    July T Widya R
    The document summarizes the Debye theory of heat capacity in solids. It describes how the theory models a solid as a collection of 3N coupled harmonic oscillators representing the vibrational modes of the solid's atoms. The vibrations can be quantized and treated as phonons obeying the Bose-Einstein distribution. Integrating over all phonon modes with a maximum ("Debye") cutoff frequency derived from the total number of modes yields the Debye model for heat capacity, which follows a T^3 dependence at low temperatures in agreement with experimental data.

    Copyright:

    © All Rights Reserved
    Download as DOC, PDF, TXT or read online from Scribd
    Download as doc, pdf, or txt
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    At a glance
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    The text discusses modeling atomic vibrations in solids as coupled harmonic oscillators and using the Debye theory to explain the heat capacity as a function of temperature.

    Atomic vibrations in solids are approximated as a set of 3N coupled harmonic oscillators which can be decoupled into independent normal modes.

    The Debye theory is a quantum theory that models atomic vibrations as a continuum of normal modes. It explains the drop in heat capacity at low temperatures and derives the famous Debye 3T rule.

    7.E.

    Heat Capacity Of A Debye Solid


    Consider a simple crystalline solid with one atom at each lattice site.
    Since the size and shape of the solid are fixed macroscopically, the motion of the
    atoms must be restricted to oscillations about their equilibrium positions.
    The degrees of freedom of such vibrations is 3N , where N is the number of atoms.
    If the amplitudes of the vibrations are small enough, the oscillations become
    harmonic, i.e., the potential energy is quadratic in atomic displacements. Thus, the
    atomic vibrations of a solid can be approximated as a set of 3N coupled harmonic
    oscillators.
    By means of a transformation into the so-called normal coordinates, the vibrations
    can be de-coupled into independent normal modes.
    Typical measured values of the heat capacity of monatomic solids are shown in Fig.
    7.2. At high temperatures, CV approaches a constant value of 6 cal/K mole, in
    agreement with the classical theory. For low temperatures, CV drops as T 3 , which
    can only be explained in terms of quantum theory.
    The Debye theory is a quantum theory of harmonic oscillations in a continuum.
    According to classical elastic theory, there are 2 types of waves governed by the wave
    equations
    1 2
    2
    2 2 uT r , t 0
    cT t

    uT 0

    transverse, doubly degenerate

    1 2
    2
    2 2 u L r, t 0
    cL t

    uL 0

    longitudinal

    where c is the phase velocity. The propagating modes thus obey linear dispersion
    i ci k
    i L, T
    and are called sound waves.

    Let the solid be a rectangular lattice of sides Lx , Ly , Lz . The normal modes are
    standing waves which vanishes at the surfaces. This means the allowable wave
    vectors are

    ki

    ni
    Li

    where N i

    where i x, y , z and ni 1, 2,L , N i

    (a)

    Li
    , with ai being the lattice spacing, is the number of sites in the ith
    ai

    direction. Thus, the total number of sites is N N x N y N z . With each site having 3
    degrees of freedom, the total degrees of freedom is 3N.
    In the quantized version of the theory, the hamiltonian is
    1


    H
    hi k nk ,i
    (7.62)

    i L ,T1 ,T2 k
    where the sum over k involves N modes for each branch i. The partition function is

    Z N T TrN exp hi k nk ,i
    2

    i L ,T1 ,T2 k

    exp h k
    i

    nk , i 0

    1
    nk ,i
    2

    1
    1

    exp hi k

    2
    1 exp hi k
    i
    k

    i

    1
    1

    hi k
    2

    2sinh

    (7.63)

    Hence,

    1

    ln Z N T ln 2sinh hi k
    2

    i
    k

    E
    ln Z N

    hi k
    2
    1 h k

    i
    2
    1

    i
    k
    sinh hi k
    2

    cosh

    1
    1

    hi k exp hi k
    1
    2
    2


    hi k
    1
    2
    1

    i
    k
    exp hi k exp hi k
    2
    2

    exp

    exp hi k 1 1
    hi k
    exp hi k 1 2

    hi k
    2 exp hi k 1

    (7.64)

    nk ,i hi k
    2

    where the average occupation of the mode k ,i


    1
    (7.65)
    exp hi k 1
    is called the Planck's formula.
    The sum over k can be approximated by an integral
    nk ,i

    dk k
    k

    where the density of states in k-space, k , can be calculated from eq(a) as

    Lx Ly Lz

    V
    3

    so that
    V

    d 3k

    ki 0

    where the condition ki 0 from eq(a) restricts the integration to the 1st quadrant.

    , we have
    c
    V
    k f 3 d 3k f 2V 2 dk k 2 f
    ki 0

    Using k

    V
    d 2 f
    2 3
    2 c

    (b)

    where we've used the fact that integration of the angular part over the 1st quadrant
    gives
    1

    d d

    8
    2
    1st Q
    Summing over the branches gives
    V
    f i i 2 3 d i i2 f i i

    i
    k
    i 2 ci
    For the special case that f i f , we have


    1 V
    f c 2 d f

    3
    i

    3V
    d 2 f
    2 2 c 3

    where

    3
    1
    2 1
    3 3 3
    3
    c
    cT cL
    i ci
    To restrict the total number of modes to 3N, we must introduce a cutoff (Debye)
    frequency D so that
    3V
    3N
    2 2 c 3

    3
    d 2 V 2 D 3
    2 c

    6 2 N
    D c

    (7.68)

    1/ 3

    c kD

    (7.69)

    Defining the density of states in -space by

    d g
    i

    we have
    g

    9N 2
    3V
    2

    D3
    2 2 c 3

    (7.70)

    Eq(7.64) thus becomes


    E

    n h
    2

    d g
    0

    (7.71)

    where
    n

    1
    exp h 1

    With the help of (7.70), we get

    9N h D
    1

    E 3 d 3 n
    D 0
    2

    9 N h D4

    D3 8

    The heat capacity is therefore

    exp h 1

    (7.72)

    CN

    9Nh
    D3 k BT 2

    h 4 exp h

    exp h 1

    5 xD

    9 N h2 k BT
    3
    D k BT 2 h

    k T
    9 Nk B B
    hD
    T
    9 Nk B
    TD

    dx

    3x
    D

    dx
    0

    3x
    D

    dx
    0

    x 4e x
    x

    x 4e x
    x

    x 4e x
    x

    For low T, we have xD . Using

    dx
    0

    x 4e x
    x

    4 4
    15

    we get
    T
    12 4
    CN ;
    Nk B
    5
    TD

    which is the famous Debye T 3 rule.

    (7.74)

    where

    h
    k BT

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