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The Oxford Solid State Basics

Steven H. Simon

Chapter 14

Wave Scattering by Crystals - all with Video Answers

Educators


Chapter Questions

00:54

Problem 1

Reciprocal Lattice and X-ray Scattering
Consider the lattice described in Exercise $13.5$ (a two-dimensional rectangular crystal having a unit cell with sides $a_{1}=0.468 \mathrm{~nm}$ and $a_{2}=0.342 \mathrm{~nm}$ ).
A collimated beam of monochromatic X-rays with wavelength $0.166 \mathrm{~nm}$ is used to examine the crystal.
(a) Draw to scale a diagram of the reciprocal lattice.
(b) Calculate the magnitude of the wavevectors $\mathrm{k}$ and $\mathbf{k}^{\prime}$ of the incident and reflected $X$-ray beams, and hence construct on your drawing the "scattering triangle" corresponding to the Laue condition $\Delta \mathrm{k}=\mathrm{G}$ for diffraction from the (210) planes (the scattering triangle includes $\mathbf{k}, \mathbf{k}^{\prime}$ and $\Delta \mathbf{k}$ ).

Bin Chen
Bin Chen
Numerade Educator
02:44

Problem 2

\ddagger X-ray scattering II
$\mathrm{BaTiO}_{3}$ has a primitive cubic lattice and a basis with atoms having fractional coordinates
Ba $[0,0,0]$
Ti $\left[\frac{1}{2}, \frac{1}{2}, \frac{1}{2}\right]$
$\mathrm{O} \quad\left[\frac{1}{2}, \frac{1}{2}, 0\right], \quad\left[\frac{1}{2}, 0, \frac{1}{2}\right], \quad\left[0, \frac{1}{2}, \frac{1}{2}\right]$
P. Sketch the unit cell.
D. Show that the X-ray structure factor for the $(00 l)$ Bragg reflections is given by
$$
S_{(h k l)}=f_{B a}+(-1)^{l} f_{T i}+\left[1+2(-1)^{l}\right] f_{O}
$$
where $f_{\mathrm{Ba}}$ is the atomic form factor for $\mathrm{Ba}$, etc.
D Calculate the ratio $I_{(002)} / I_{(001)}$, where $I_{(h k l)}$ is the intensity of the X-ray diffraction from the ( $h k l$ ) planes. You may assume that the atomic form factor is proportional to atomic number $(Z)$, and neglect its dependence on the scattering vector. $\left(Z_{\mathrm{Ba}}=56, \quad Z_{\mathrm{Ti}}=22, \quad Z_{\mathrm{O}}=8 .\right)$

Adriano Chikande
Adriano Chikande
Numerade Educator
01:52

Problem 3

I. X-ray scattering and Systematic Absences
(a) Explain what is meant by "Lattice Constant" for a cubic crystal structure.
(b) Explain why X-ray diffraction may be observed in first order from the (110) planes of a crystal with a body-centered cubic lattice, but not from the (110) planes of a crystal with a face-centered cubic lattice.

D Derive the general selection rules for which planes are observed in boc and fcc lattices.
(c) Show that these selection rules hold independent of what atoms are in the primitive unit cell, so long as the lattice is boc or fcc respectively.
(d) A collimated beam of monochromatic X-rays of wavelength $0.162 \mathrm{~nm}$ is incident upon a powdered sample of the cubic metal palladium. Peaks in the scattered X-ray pattern are observed at angles of $42.3^{\circ}, 49.2^{\circ}, 72.2^{\circ}, 87.4^{\circ}$, and $92.3^{\circ}$ from the direction of the incident beam.
D Identify the lattice type.
D Calculate the lattice constant and the nearestneighbor distance.
$D$ If you assume there is only a single atom in the basis does this distance agree with the known data that the density of palladium is $12023 \mathrm{~kg} \mathrm{~m}^{-3}$ ? (Atomic mass of palladium $=106.4 .$ )
(e) How could you improve the precision with which the lattice constant is determined. (For one suggestion, see Exercise 14.10.)

Mayukh Banik
Mayukh Banik
Numerade Educator
04:57

Problem 4

$\ddagger$ Neutron Scattering
(a) X-ray diffraction from sodium hydride (NaH) established that the Na atoms are arranged on a face-centered cubic lattice.

D Why is it difficult to locate the positions of the H atoms using X-rays?
The $\mathrm{H}$ atoms were thought to be displaced from the Na atoms either by $\left[\frac{1}{4}, \frac{1}{4}, \frac{1}{4}\right]$ or by $\left[\frac{1}{2}, \frac{1}{2}, \frac{1}{2}\right]$, to form the $\mathrm{ZnS}$ (zincblende) structure or $\mathrm{NaCl}$ (sodium chloride) structure, respectively. To distinguish these models a neutron powder diffraction measurement was performed. The intensity of the Bragg peak indexed as (111) was found to be much larger than the intensity of the peak indexed as larger $(200)$.
D Write down expressions for the structure factors $S_{(h k l)}$ for neutron diffraction assuming NaH has
(i) the sodium chloride (NaCl) structure
(ii) the zinc blende ( $\mathrm{ZnS}$ ) structure.
D Hence, deduce which of the two structure models is correct for NaH. (Nuclear scattering length of $\mathrm{Na}=0.363 \times 10^{5} \mathrm{~nm}$; nuclear scattering length of $\left.\mathrm{H}=-0.374 \times 10^{5} \mathrm{~nm} .\right)$
(b) How does one produce monochromatic neutrons for use in neutron diffraction experiments?
D. What are the main differences between neutrons and X-rays?
D Explain why (inelastic) neutron scattering is well suited for observing phonons, but X-rays are not.

Jacquelyn Trost
Jacquelyn Trost
Numerade Educator
03:12

Problem 5

And More X-ray Scattering
A sample of aluminum powder is put in an DebyeScherrer X-ray diffraction device. The incident Xray radiation is from Cu-Ka X-ray transition (this just means that the wavelength is $\lambda=.154 \mathrm{~nm}$ ). The following scattering angles were observed:
$19.48^{\circ} \quad 22.64^{\circ} \quad 33.00^{\circ} \quad 39.68^{\circ} \quad 41.83^{\circ} \quad 50.35^{\circ} \quad 57.05^{\circ}$
$59.42^{\circ}$
Given also that the atomic weight of $\mathrm{Al}$ is 27 , and the density is $2.7 \mathrm{~g} / \mathrm{cm}^{3}$, use this information to calculate Avagadro's number. How far off are you? What causes the error?

Crystal Wang
Crystal Wang
Numerade Educator
02:52

Problem 6

More Neutron Scattering
The conventional unit cell dimension for a particular bcc solid is .24nm. Two orders of diffraction are observed. What is the minimum energy of the neutrons? At what temperature would such nettrons be dominant if the distribution is MaxwellBoltzmann.

Anand Jangid
Anand Jangid
Numerade Educator
02:13

Problem 7

Lattice and Basis
Prove that the structure factor for any crystal (described with a lattice and a basis) is the product of the structure factor for the lattice times the structure factor for the basis (i.e., prove Eq. 14.14).

Zubair Abdulla
Zubair Abdulla
Numerade Educator
07:22

Problem 8

Cuprous Oxide and Fluorine Beta
(a) The compound $\mathrm{Cu}_{2} \mathrm{O}$ has a cubic conventional unit cell with the basis:
$\mathrm{O} \quad[000] ;\left[\frac{1}{2}, \frac{1}{2}, \frac{1}{2}\right]$
Cu $\left[\frac{1}{4}, \frac{1}{4}, \frac{1}{4}\right] ;\left[\frac{1}{4}, \frac{3}{4}, \frac{3}{4}\right] ;\left[\frac{3}{4}, \frac{1}{4}, \frac{3}{4}\right] ;\left[\frac{3}{4}, \frac{3}{4}, \frac{1}{4}\right]$
Sketch the conventional unit cell. What is the lattice type? Show that certain diffraction peaks depend only on the $\mathrm{Cu}$ form factor $f_{\mathrm{Cu}}$ and other reflections depend only on the $\mathrm{O}$ form factor $f_{O}$.
(b) Consider fluorine beta phase as described in exercise 12.5. Calculate the structure factor for this crystal. What are the selection rules?

Susan Hallstrom
Susan Hallstrom
Numerade Educator
01:05

Problem 9

Form Factors
(a) Assume that the scattering potential can be written as the sum over the contributions of the scattering from each of the atoms in the system. Write the positions of the atoms in terms of a lattice plus a basis so that
$$
V(\mathrm{x})=\sum_{\mathbf{R}, \alpha} V_{\alpha}\left(\mathrm{x}-\mathbf{R}-\mathbf{y}_{\alpha}\right)
$$
where $\mathbf{R}$ are lattice points, $\alpha$ indexes the particles in the basis and $\mathbf{y}_{\alpha}$ is the position of atom $\alpha$ in the basis. Now use the definition of the structure factor Eq. $14.5$ and derive an expression of the form of Eq. $14.8$ and hence derive expression $14.9$ for the form factor. (Hint: Use the fact that an integral over all space can be decomposed into a sum over integrals of individual unit cells.)
(b) Given the equation for the form factor you just derived (Eq. 14.9), assume the scattering potential from an atom is constant inside a radius $a$ and is zero outside that radius. Derive Eq. 14.10.
(c)* Use your knowledge of the wavefunction of an electron in a hydrogen atom to calculate the X-ray form factor of hydrogen.

Raj Bala
Raj Bala
Numerade Educator
01:06

Problem 10

Error Analysis
Imagine you are trying to measure the lattice constant $a$ of some crystal using X-rays. Suppose a diffraction peak is observed at a scattering angle of $2 \theta$. However, suppose that the value of $\theta$ is measured only within some uncertainty $\delta \theta$. What is the fractional error $\delta a / a$ in the resulting measurement of the lattice constant? How might this error be reduced? Why could it not be reduced to zero?

James Kiss
James Kiss
Numerade Educator