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    Debye Theory: Discrepancies of Einstein Theory

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    RaqibAhsan
    1) The Einstein theory of specific heat assumes independent oscillators and a single frequency, which does not accurately model real crystals. Debye theory considers the crystal lattice as coupled harmonic oscillators with a spectrum of vibrational frequencies. 2) Though the atomic oscillators are coupled, the normal modes of vibration are independent. The total vibrational energy can be calculated by integrating the energy of the normal modes over the frequency range. 3) By making approximations about the dispersion relation and density of states, Debye derived expressions for the internal energy and specific heat that agree well with experimental results over a wide temperature range.

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    Debye Theory: Discrepancies of Einstein Theory

    Uploaded by

    RaqibAhsan
    33 views9 pages
    1) The Einstein theory of specific heat assumes independent oscillators and a single frequency, which does not accurately model real crystals. Debye theory considers the crystal lattice as coupled harmonic oscillators with a spectrum of vibrational frequencies. 2) Though the atomic oscillators are coupled, the normal modes of vibration are independent. The total vibrational energy can be calculated by integrating the energy of the normal modes over the frequency range. 3) By making approximations about the dispersion relation and density of states, Debye derived expressions for the internal energy and specific heat that agree well with experimental results over a wide temperature range.

    Original Description:

    Semi Conductor Device Theory

    Original Title

    Lecture 6

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    1) The Einstein theory of specific heat assumes independent oscillators and a single frequency, which does not accurately model real crystals. Debye theory considers the crystal lattice as coupled harmonic oscillators with a spectrum of vibrational frequencies. 2) Though the atomic oscillators are coupled, the normal modes of vibration are independent. The total vibrational energy can be calculated by integrating the energy of the normal modes over the frequency range. 3) By making approximations about the dispersion relation and density of states, Debye derived expressions for the internal energy and specific heat that agree well with experimental results over a wide temperature range.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    33 views9 pages

    Debye Theory: Discrepancies of Einstein Theory

    Uploaded by

    RaqibAhsan
    1) The Einstein theory of specific heat assumes independent oscillators and a single frequency, which does not accurately model real crystals. Debye theory considers the crystal lattice as coupled harmonic oscillators with a spectrum of vibrational frequencies. 2) Though the atomic oscillators are coupled, the normal modes of vibration are independent. The total vibrational energy can be calculated by integrating the energy of the normal modes over the frequency range. 3) By making approximations about the dispersion relation and density of states, Debye derived expressions for the internal energy and specific heat that agree well with experimental results over a wide temperature range.

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    Discrepancies of Einstein Theory

    Specific heat varies with temperature as T3.


    BUT exponential temperature variation predicted by Einstein
    theory.
    theory
    Reasons: Assumptions of independent oscillators and single
    frequency.
    Vibrational frequency spectrum given by the dispersion relation
    as well as the quantization of the oscillator energies must be
    considered.

    Debye Theory
    2

    Debye Theory
    Considers crystal lattice as harmonic oscillators coupled together
    by interatomic forces.
    Though not exact, Debye theory agrees with experiment
    satisfactorily over a wide range of temperatures.
    Works with the allowed modes of oscillations rather than the
    individual atomic oscillators.

    Internal Energy
    Though the atomic oscillators are coupled together, the normal
    modes are independent of one another.
    T
    Total
    t l vibrational
    ib ti l energy can be
    b ffound
    d bby fi
    finding
    di the
    th internal
    i t
    l
    energy associated with the normal modes having frequencies in a
    range d about any given frequency , and integrating over
    frequency.
    The differential energy:

    dU ( ) g ( )d

    ( ) : Mean energy
    g ( )d : Number of modes in d about
    4

    Mean Energy
    We derived the mean energy while discussing Einstein Theory of
    specific heat:

    1
    2

    ( )

    1
    e

    / kbT

    Density of States
    In practice, it is easier to calculate g(k)dk instead of g()d.

    dU ( ) g ( )d
    ( ) g (k )

    dk
    d
    d

    Density of States
    Assume a rectangular crystal of dimensions Lx, Ly, Lz, with
    volume V in periodic boundary conditions.
    2 n y
    2 nx
    2 nz
    Allowed propagation vectors: k x
    , ky
    , kz
    Lx
    Ly
    Lz

    2
    Lz

    Unit cell corresponding


    to a single normal mode

    2
    Ly

    2
    Lx

    Volume of k-space occupied by a single mode:

    8 3
    8 3

    Lx Ly Lz
    V
    7

    Density of States
    Spherical surfaces corresponding to constant values k and k + dk

    kz

    Volume in dk: 4k2dk

    dk

    4 k 2 dk k 2Vdk
    g (k )dk

    8 3 / V
    2 2

    ky

    k
    Considering one longitudinal
    and two transverse modes

    kx

    3k 2Vdk
    g (k )dk
    2 2
    8

    dk/d
    We have to know the dispersion relation.
    For three-dimensional cases, the dispersion relation is not easily
    expressed in closed form.
    Debye assumptions:
    Linear dispersion relation

    k km

    v0 k ,

    v0 : Constant velocity
    Cutoff frequency

    4 3
    8 3
    km N
    , or
    3
    V

    1/3

    km 6 2
    V

    Internal Energy
    m

    U dU
    U

    ( ) g (k )

    dk
    d
    d

    3k 2V 1

    / k T
    d

    2
    2 e b 1 2 v0

    3V 1
    2
    2 v0

    2

    / k T

    2 d
    2 e b 1 v0

    3
    3
    0 2 e / kbT 1 d
    3V m4
    3V m 3
    2 3

    d
    2 v0 8 2 2 v03 0 e / kbT 1
    3V
    2 3
    2 v0

    10

    Internal Energy
    3V m4 3V

    U 2 3
    2 v0 8 2 2 v03

    e / kbT 1

    4 3
    8 3
    6 2 N 6 2 Nv03
    km N
    V

    3
    V
    km3
    m3
    Replacing
    p
    gV

    9
    9 N m 3 d
    U N m 3
    8
    m 0 e / kbT 1
    11

    Specific Heat
    U
    cv

    9
    9 N m
    3
    N m 3
    8
    m 0 e / kb T 1
    U
    T
    9N

    3
    m

    9 N 2
    3
    m kbT 2

    / kbT

    e / kb T

    4 e / k T
    b

    e / kbT 1


    d
    kbT 2

    12

    Specific Heat
    cv
    Let

    9 N 2
    m3 kbT 2

    4 e / k T
    b

    / kb T

    kT

    x d b dx
    kbT

    Boundary values:

    0x0
    m x
    T
    cv 9 Nkb

    m
    , : Debye Temperature
    kbT T

    /T

    x 4e x

    e x 1

    dx
    13

    T
    9
    9 N m 3
    9
    T

    U N m 3
    N

    9
    Nk
    T
    m
    b

    /

    k
    T
    8
    m 0 e b 1 8

    Simplification:
    Si lifi i

    /T

    x3
    dx
    ex 1

    x3
    x3

    x2
    x
    e 1 1 x 1

    9
    T
    U N m 9 NkbT
    8

    /T

    /T

    3
    9
    T x
    x dx N m 9 NkbT
    8
    3 0
    3

    9
    T 9
    N m 3NkbT N m 3NkbT
    8
    T 8
    3

    cv 3 Nkb
    14

    T0
    9
    9 N m 3
    9
    T
    N m 9 NkbT
    U N m 3
    /
    k
    T

    b
    1 8
    8
    m 0 e

    /T

    x3
    dx
    ex 1

    Simplification:
    Si lifi i

    1
    1 1
    x
    x
    e 1 e 1 e x

    /T

    1
    x
    e

    e x e x e nx
    n0

    n 1

    n 1

    3
    x

    x3

    dx x
    dx x3e nx dx
    x
    0 e 1
    0
    e 1
    n 1

    n 1

    3 nx

    xe

    dx I n
    n 1

    15

    Integration

    In x e
    0

    3 nx

    nx

    e nx
    3
    2 e
    dx x 3

    3
    x
    dx 0 x 2 e nx dx

    0
    n 0
    n
    n 0

    e nx
    3
    3 e nx
    6
    dx 0 2
    2x
    x2

    n
    n 0 n 0
    n
    n

    6
    2
    n

    e nx
    6
    x n n2

    6
    3
    n

    e nx
    6
    n n4

    e nx
    6
    dx 0 3
    n
    n

    xe nx dx

    xe nx dx

    16

    T0

    x3
    1

    dx
    6

    4
    x
    e 1
    n 1 n

    /T

    Riemann
    Ri
    zeta function:
    f
    i

    1
    1 1 1
    4
    (4) 4 1 4 4 4
    2 3 4
    90
    n 1 n

    9
    T
    U N m 9 NkbT
    8

    /T

    9
    3 4
    T
    N m
    NkbT
    8
    5

    12 4
    T
    cv
    Nkb
    5

    4
    x3
    9
    T 6
    dx N m 9 NkbT
    ex 1
    8
    90
    3

    17

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