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    X-ray diffraction is a technique used to analyze the crystal structure of materials. It works by firing x-rays at a crystalline sample and observing the angles at which the x-rays are diffracted. Bragg's law describes the relationship between diffraction angle, wavelength, and interplanar spacing in a crystal. By analyzing the diffraction pattern produced, properties like lattice constant and atomic radius can be determined from the positions and intensities of diffracted peaks. XRD is useful for identifying crystalline phases and distinguishing crystalline materials from amorphous ones.

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    X-ray Diffraction

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    X-ray Diffraction

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    X-ray diffraction is a technique used to analyze the crystal structure of materials. It works by firing x-rays at a crystalline sample and observing the angles at which the x-rays are diffracted. Bragg's law describes the relationship between diffraction angle, wavelength, and interplanar spacing in a crystal. By analyzing the diffraction pattern produced, properties like lattice constant and atomic radius can be determined from the positions and intensities of diffracted peaks. XRD is useful for identifying crystalline phases and distinguishing crystalline materials from amorphous ones.

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    © All Rights Reserved
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    11 views15 pages

    X-Ray Diffraction

    Uploaded by

    구서경
    X-ray diffraction is a technique used to analyze the crystal structure of materials. It works by firing x-rays at a crystalline sample and observing the angles at which the x-rays are diffracted. Bragg's law describes the relationship between diffraction angle, wavelength, and interplanar spacing in a crystal. By analyzing the diffraction pattern produced, properties like lattice constant and atomic radius can be determined from the positions and intensities of diffracted peaks. XRD is useful for identifying crystalline phases and distinguishing crystalline materials from amorphous ones.

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    of 15

    2022 1st Materials Sci. & Eng.

    X-ray Diffraction
    Physics origin of spectra 2022 1st Materials Sci. & Eng.
    History of X-ray 2022 1st Materials Sci. & Eng.

    • Discovered by W. Roentgen (1895)-First


    Nobel Prize 1901
    • Slit diffraction experiment Haga &
    Wind(1899)
    – Electro-magnetic wave
    • X-ray Diffraction by crystal planes Laue,
    Bragg(1912)
    Generation of X-rays 2022 1st Materials Sci. & Eng.

    • Classically
    – Acceleration of electric charge generates electro-magnetic wave
    – Polychromatic, continuous or white X-ray sine it is made up, like white light, of rays of many
    wavelengths.
    – Called Bremsstrahlung, German for “Braking radiation” because it is caused by electron
    deceleration.
    – Continuous spectrum

    • Quantum mechanically : Electronic transitions generates electromagnetic radiation


    (Monochromic)
    – When the voltage on an X-ray tube is raised above a certain critical value, characteristic of the target metal,
    sharp intensity maxima appear at certain wavelengths, superimposed on the continuous spectrum.
    – Kα and Kβ are induced by 2p → 1 s and 3p → 1 s transitions, respectively.
    – K α has two different wavelength, Kα1 and Kα2
    Generating geometry 2022 1st Materials Sci. & Eng.

    • The wavelength of the Kα line decreases with increasing


    Cross section of the beam at a small target- atomic number. As shown in left Table.
    to-beam angle is a small square
    • Only a small fraction of energy of the incident electron
    beam is converted into X-rays. That is, most of the
    energy is converted into heat and the anode would soon
    melt if it were not cooled.

    • Filter should be used to make best monochromatic X-


    ray
    – Ni for Cu Kα
    – See the left Table
    Synchrotron X-ray source 2022 1st Materials Sci. & Eng.
    X-ray absorption and fluorescence 2022 1st Materials Sci. & Eng.

    X-ray absorption edges


    Diffraction 2022 1st Materials Sci. & Eng.

    Diffraction - The constructive interference, or


    reinforcement, of a beam of x-rays or electrons
    interacting with a material.

    The diffracted beam provides useful information


    concerning the structure of the material.

    Schematic illustration of Young’s double-slit experiment.


    X-ray to determine crystal structure 2022 1st Materials Sci. & Eng.

    • Incoming X-rays diffract from crystal planes.

    reflections must
    be in phase for
    a detectable signal
    extra
    distance l
    travelled
    by wave “2”
    θ θ
    spacing
    d between
    planes
    In a diffractometer, a moving x-ray
    detector records the 2θ angles at which
    the beam is diffracted, giving a
    characteristic diffraction pattern
    nλ
    X-ray intensity d=
    (from detector)
    2 sin θc

    θ
    θc
    Bragg’s Law 2022 1st Materials Sci. & Eng.

    The relationship describing the angle at which a


    beam of x-rays of a particular wavelength diffracts from
    crystallographic planes of a given interplanar spacing.

    2d sinθ = nλ n = 1, 2, 3, ...

    The equation is referred to as Bragg’s law, and arises


    from the constructive interference of scattered waves.

    Constructive interference of the scattered ray 1’ and 2’


    occurs also at angle θ to the planes, if the path length
    difference between 1-P-1’ and 2-Q-2’ (i.e., SQ + QT) is
    equal to a whole (integer) number, n, of wavelengths.
    That is, the condition for diffraction is nλ = SQ + QT.
    Therefore, nλ = d sin θ + d sin θ = 2 d sin θ
    Example 2022 1st Materials Sci. & Eng.

    Determine the d for (111) plane, the lattice constant ao and atomic radius if
    you get (111) peak at 2θ = 38 o and the crystal structure is FCC.
    X-ray diffraction (XRD) pattern 2022 1st Materials Sci. & Eng.

    z z z
    c c (211) c
    (110) (200)
    y y y
    a b a b a b
    Intensity (relative)

    x x x

    Diffraction angle 2θ
    Diffraction pattern for polycrystalline α-iron (BCC)
    Various diffraction patterns 2022 1st Materials Sci. & Eng.

    • The two variables in a powder pattern are peak


    position and intensity
    2022 1st Materials Sci. & Eng.

    XRD pattern of (a) cristobalite and (b) glassy SiO2


    2022 1st Materials Sci. & Eng.

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