3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005) how do we generate soft X-rays? in the lab: beam of electrons striking a metal target - we excite core electrons, that decay back emitting radiation on a broad spectrum of frequencies.
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X-Ray Diffraction: 3.012 Fund of Mat Sci: Structure - Lecture 17
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005) how do we generate soft X-rays? in the lab: beam of electrons striking a metal target - we excite core electrons, that decay back emitting radiation on a broad spectrum of frequencies.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005) how do we generate soft X-rays? in the lab: beam of electrons striking a metal target - we excite core electrons, that decay back emitting radiation on a broad spectrum of frequencies.
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X-Ray Diffraction: 3.012 Fund of Mat Sci: Structure - Lecture 17
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005) how do we generate soft X-rays? in the lab: beam of electrons striking a metal target - we excite core electrons, that decay back emitting radiation on a broad spectrum of frequencies.
Copyright:
Attribution Non-Commercial (BY-NC)
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3.
012 Fund of Mat Sci: Structure Lecture 17
X-RAY DIFFRACTION
Image of a spiral sea shell (left) and Rosalyn Franklin's original picture of a DNA Alpha Helix (right). Images removed for copyright reasons.
A beautiful spiral, and
an even more beautiful one
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Homework for Wed Nov 9
Read: Prof Wuensch Lecture Notes
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Last time: 1. 2. 3. 4. 5. 6. Glide planes, screw axes Space groups Bravais lattices: sc, bcc, fcc (also, lattice with a basis) Primitive, conventional, and Wigner-Seitz cells Miller indices Diamond, zincblend, perovskites, rocksalt, CsCl
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Probing with radiation
Wavelength need to be smaller than typical interatomic distances Beams of photon (X-rays), electrons, neutrons We look at coherent (all same atoms behave in the same way), elastic (no energy is lost) scattering Elastic: diffraction. Inelastic: spectroscopies We interrogate long-range order with coherent elastic scattering 3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Examples: http://imagers.gsfc.nasa.gov/ems/ems.html 3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Energy of an accelerated electron
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Relativistic effects: every time a charge is accelerated or decelerated: wigglers and undulators in a synchrotron
Diagram explaining the mechanics of a synchrotron removed for copyright reasons. See http://geographyfieldwork.com/SynchrotronWorks.htm 3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
How do we generate soft X-rays?
In the lab: beam of electrons striking a metal target Electrons are decelerated, and they emit radiation on a broad spectrum of frequencies. This is called Bremmstrahlung In addition, we excite core electrons, that decay back emitting radiation at K, L, M lines
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Moseley law Moseley Plot of Characteristic X-Rays Re 75 Yb 70 Tb 65 Nd 60 Cs 55 Sn 50 Rh 45 Zr 40 Br 35 Zn 30 Mn 25 Ca 20 P 15 8 10 12 14 16 18 20 22 Frequency (Hz) 1016 M M
L L series
hL = 13.6eV (Z - 7.4)2
1 22 L
1 32 L
n=5 n=4 n=3 L n=2 K n=1 L M N
K K K K
K K series K
Figure by MIT OCW.
hK = 13.6eV (Z - 1)2
1 12
1 3 13.6 (Z -1)2 eV = 22 4
Figure by MIT OCW.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
How do we generate X-rays?
3 Relative Intensity Intensity I Increase of accelerating voltage
K Characteristic x-rays K X-rays from a molybdenum target at 35 kV
min
Wavelength
X Ray Emission Spectrum
1 Brehmsstrahlung continuum
Intensity I
.02
.04 .06 .08 .10 Wavelength (nm)
.12
Increase of heating voltage
Figure by MIT OCW.
min
Wavelength
Figure by MIT OCW.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
The Laue experiment
X-ray photograph of zinc blende from the Laue experiment removed for copyright reasons. See http://capsicum.me.utexas.edu/ChE386K/html/laue_experiment.htm.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
How does a crystal diffract ?
Figure by MIT OCW.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Diffraction (wave-like instead of particle-like)
Source: Wikipedia Figure by MIT OCW. 3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Diffraction from a grating
(Left-pointing 1st, 2nd, and 3rd order, and all higher order beams not shown.) 0th Order 1st Order 2nd Order 3rd Order
Diffraction Grating Figure by MIT OCW. 3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Reciprocal lattice (I)
Lets start with a Bravais lattice, defined in terms of its primitive lattice vectors
r r a3 a 2 r a1
r r r r R = la1 + ma2 + na3 l , m, n integer numbers r R = ( l , m, n )
Figure by MIT OCW.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Reciprocal lattice (II)
and then lets take a plane wave
r r r (r ) = A exp[i (k r )]
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Reciprocal lattice (III)
What are the wavevectors for which our plane wave has the same amplitude at all lattice points ?
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Reciprocal lattice (IV)
r r k R = 2n n integer is satisfied by r r r r G = hb1 + ib2 + jb3 with h, i, j integers, provided r r a2 a3 r b1 = 2 r r r a1 a2 a3
r r a3 a1 r b2 = 2 r r r a1 a2 a3
r r a1a2 r b3 = 2 r r r a1 a2 a3
r G = ( h, i, j ) are the reciprocal-lattice vectors
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Examples of reciprocal lattices
Direct lattice Simple cubic FCC BCC Orthorhombic Reciprocal lattice Simple cubic BCC FCC Orthorhombic r r r a2 a3 b1 = 2 r r r a1 ( a2 a3 )
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
First Laue condition
( AB CD ) = a ( cos n cos 0 ) = nx
o a
C A D n B
Figure by MIT OCW.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
First Laue condition (vector form)
r r a S = a cos n r r a S0 = a cos 0 So a.So a a.S S Figure by MIT OCW.
r r r a ( cos n cos 0 ) = a S S0 = nx
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Second Laue condition
Figure by MIT OCW.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Third Laue condition
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Back-reflection and transmission Laue
Diagrams of the Laue Method removed for copyright reasons. See the images at http://www.matter.org.uk/diffraction/x-ray/laue_method.htm.
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
