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    Chapter 4: Continued Atomic Vibrations: KX DT X D M X F

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    Stefan Istratescu
    Atomic vibrations have several consequences in solid materials: - Atoms vibrate rapidly around their lattice positions at typical frequencies of 1013 Hz and amplitudes of 10-12m. - This causes X-ray peaks to not be sharp and leads to heat capacity, melting, and electrical resistance. - The high vibration frequencies are due to atoms being light and bonded by strong forces based on a simple harmonic oscillator model. - Higher mass atoms or weaker bonds lead to lower vibration frequencies. - The amplitude of atomic vibrations increases with temperature and can be estimated using the simple harmonic oscillator model and assuming the average thermal energy is kBT.

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    Chapter 4: Continued Atomic Vibrations: KX DT X D M X F

    Uploaded by

    Stefan Istratescu
    44 views3 pages
    Atomic vibrations have several consequences in solid materials: - Atoms vibrate rapidly around their lattice positions at typical frequencies of 1013 Hz and amplitudes of 10-12m. - This causes X-ray peaks to not be sharp and leads to heat capacity, melting, and electrical resistance. - The high vibration frequencies are due to atoms being light and bonded by strong forces based on a simple harmonic oscillator model. - Higher mass atoms or weaker bonds lead to lower vibration frequencies. - The amplitude of atomic vibrations increases with temperature and can be estimated using the simple harmonic oscillator model and assuming the average thermal energy is kBT.

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    Atomic vibrations

    Original Title

    Vibrations Handouts

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    Atomic vibrations have several consequences in solid materials: - Atoms vibrate rapidly around their lattice positions at typical frequencies of 1013 Hz and amplitudes of 10-12m. - This causes X-ray peaks to not be sharp and leads to heat capacity, melting, and electrical resistance. - The high vibration frequencies are due to atoms being light and bonded by strong forces based on a simple harmonic oscillator model. - Higher mass atoms or weaker bonds lead to lower vibration frequencies. - The amplitude of atomic vibrations increases with temperature and can be estimated using the simple harmonic oscillator model and assuming the average thermal energy is kBT.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    44 views3 pages

    Chapter 4: Continued Atomic Vibrations: KX DT X D M X F

    Uploaded by

    Stefan Istratescu
    Atomic vibrations have several consequences in solid materials: - Atoms vibrate rapidly around their lattice positions at typical frequencies of 1013 Hz and amplitudes of 10-12m. - This causes X-ray peaks to not be sharp and leads to heat capacity, melting, and electrical resistance. - The high vibration frequencies are due to atoms being light and bonded by strong forces based on a simple harmonic oscillator model. - Higher mass atoms or weaker bonds lead to lower vibration frequencies. - The amplitude of atomic vibrations increases with temperature and can be estimated using the simple harmonic oscillator model and assuming the average thermal energy is kBT.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 3

    Chapter 4: continued

    Atomic Vibrations
    Every atom in a solid material is vibrating very rapidly
    about its lattice position within the crystal
    - typical vibration frequency: 1013 Hz
    - typical vibration amplitude: 10-3 nm = 10-12m
    Atomic vibrations have many consequences:
    - X-ray peaks are not sharp
    - responsible for heat capacity and transport
    - melting, when amplitude is high enough
    - responsible for electrical resistance

    Chapter 4

    Why frequencies are so high?

    • Basically, because atoms are so light


    • Consider the simple harmonic oscillator model

    k
    m

    x=0
    2
    d x
    F ( x) = m = −kx
    dt 2
    Potential energy of a spring:
    1
    U ( x) = k ( x − xo ) 2
    2
    ω 1 k
    Frequency: f = =
    2Π 2Π m
    Chapter 4

    1
    Potential energy

    1
    U ( x) = k ( x − xo ) 2
    2
    Almost any potential energy with the minimum can be approximated by a
    parabola (as long as we stay close enough to the minimum)

    1
    U (r ) ≈ U (ro ) + U ′(ro )(r − ro ) + U ′′(ro )(r − ro ) 2
    2
    Zero-point of PE parabola
    irrelevant

    Comparing to the PE of a spring, we identify k =


    ∂ 2U
    ∂r 2 r0

    Example: NaCl crystal


    A B
    Model: U (r ) = − + , where A = 1.31eV nm, B = 2.33×10-5eV nm8
    r r8
    Chapter 4

    Force constant k values: comparison


    k~Y×a
    a – lattice parameter, nm; Y – constant (Young’s modulus)

    Element m, amu Lattice Frequency Force


    parameter, a, ω, rad s-1 constant
    nm k, N m-1
    Diamond 12 0.154 8.54×1013 146

    Cu 64 0.256 1.77×1013 33.3

    Pb 207 0.350 3.90×1012 5.25

    • Atoms of low mass which are connected by strong bonds vibrate rapidly
    • Atoms of high mass connected by weak bonds vibrate comparatively slowly

    Chapter 4

    2
    Amplitude of atomic vibrations
    By treating the atoms as simple harmonic oscillators and assuming that the
    average thermal energy of an atom at temperature T is kBT → the amplitude
    of the atomic vibrations xmax

    For any harmonic oscillator the potential energy at distance x from the
    equilibrium position is 0.5 k x2, where k is the force constant. At the maximum
    amplitude, xmax, all of the energy of the oscillator is potential energy
    p 2 k ( x − xo ) 2 k ( x − xo ) 2
    E= + = kT + (in 1D)
    2m 2 2
    1 2
    kxmax = k BT
    2
    The energy of one atom moving along
    2 k BT
    xmax = one direction (x) is written as (more
    k next semester!):

    Chapter 4

    Thermal vibrations of the atoms


    Q.: Given that the actual value of k for Cu is about 100 N m-1 and the atomic spacing is
    0.256nm, estimate the amplitude of vibration of the atoms at (a) 300K and (b) 1200K
    as a percentage of the equilibrium spacing.

    Chapter 4

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