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Homework 1. This Homework Is Based On Chapters: Problem 1

This homework assignment contains 12 problems related to crystal structures and diffraction. Students are encouraged but not required to complete the problems and submit their solutions by September 13. The problems cover topics like calculating unit cell volumes for different lattice types, identifying crystal directions and planes, deriving Bragg's law and the structure factor, analyzing diffraction patterns from linear chains and 2D lattices, and calculating diffraction peak positions for materials like diamond and cobalt.

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Iqra Wahid
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162 views

Homework 1. This Homework Is Based On Chapters: Problem 1

This homework assignment contains 12 problems related to crystal structures and diffraction. Students are encouraged but not required to complete the problems and submit their solutions by September 13. The problems cover topics like calculating unit cell volumes for different lattice types, identifying crystal directions and planes, deriving Bragg's law and the structure factor, analyzing diffraction patterns from linear chains and 2D lattices, and calculating diffraction peak positions for materials like diamond and cobalt.

Uploaded by

Iqra Wahid
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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HOMEWORK 1.

This Homework is based on Chapters 1-2 (Kittel) and Chapters 4-7 (Ashcroft/Mermin).
The “recommended” due date is Monday September 13.
The homework assignment are NOT GRADED. But you are strongly recommended to work them out, in
order to be properly prepared for your Exams and better/deeper understand the Course material.
If you wish, you may photo or scan your solutions and put them into a single pdf file and send it to me by
email by due date. You don’t need to send your homework to me, but I encourage you to do that – so we
would have better feedback and I have better idea on your grasp of the course.

Problem 1.
Assume that each atom is a hard sphere with the surface of each atom in contact with the
surface of its nearest neighbor. Determine the percentage of total unit cell volume (density of atoms)
that is occupied in (a) a simple cubic lattice, (b) a face-centered cubic lattice, (c) a body-centered
cubic lattice, and (d) diamond lattice.

Problem 2.
Within a cubic unit cell, sketch the following directions:

Problem 3.
Determine the Miller indices for the planes shown in the following unit cell:

Problem 4. (Kittel, 2.1)


A Consider a plane hkl in a crystal lattice. (a) Prove that the reciprocal lattice vector G = hb1 + kb2 + lb3 is
perpendicular to this plane. (b) Prove that the distance between two adjacent parallel planes of the lattice
is d(hkl) = 2/ |Ghkl|. (c) Show for a simple cubic lattice that d2 = a2/(h2 + k2 + l2).
Problem 5.

(c) show that the scattered intensity at the diffraction maximum is proportional to M2.

Problem 6. (Kittel, 2.5)


Structure factor of diamond. The crystal structure of diamond is described in (Kittel) Chapter 1. The
basis consists of eight atoms if the cell is taken as the conventional cube. (a) Find the structure factor S of
this basis. (b) Find the zeros of S and show that the allowed reflections of the diamond structure satisfy
v1 + v2 + v3 = 4n, where all indices are even and n is any integer, or else all indices are odd (Fig. 18).
(Notice that h, k, l may be written for v1, v2, v3 and this is often done.)
Problem 7.
Consider the linear chain of carbon atoms shown in Figure. This structure could easily be a chain of
hydrocarbons with alternating single and double bonds such as –C=C–C=C–C=C–C=.

(a) What is the lattice vector? What is the basis? Specify using the conventional notation with b=a/4.
(b) Monochromatic X-rays of wavelength l illuminate the chain.
(i) Evaluate the path difference between the waves scattered at the angle  by the atom
positioned at the origin (O) and the atom placed in position (2). Indicate the possible values of  (or of one
of its trigonometric function) observed by diffraction assuming that the chain consists only of atom pairs
(crystal diffraction). Show that the addition of odd atoms accentuates the diffracted intensity in certain
directions while diminishing it in others (always assuming that b=a/4. Find the result using the structure
factor.
(ii) Numerical application: l = 0.5 Å, a = 0.5 Å, determine the table of increasing values from 0 (or
you may plot it), 0< <  /2, for which the diffraction conditions are satisfied. State the values
corresponding to the intensities IT / If in which IT is the diffracted intensity of the group of atoms of the
chain and If is the diffracted intensity of the atoms only situated at the lattice points.

Problem 8. (Kittel, 2.7)

Problem 9. The lattice constant (length of the conventional cubic cell) of a monatomic bcc crystal is a = 4.28 Å.
Calculate the diffraction angles 2or just ) of the first four diffraction peaks (the four diffraction peaks with the
lowest 2values) from its powder specimen, using monochromatic x-ray with a wavelength = 1.5 Å. (Hint:
powder specimen implies that all crystal orientations are possible in the specimen.)

Problem 10.
Show that 3 Laue conditions for 3D crystal are equivalent fo the Bragg condition.
Problem 11.
A two-dimensional Bravais lattice has the primitive vectors (in nm)
a1 = 0.4 ex, a2 = 0.1 ex + 0.2 ey (ex and ey are unit vectors along x and y directions)
(1) Compute the primitive vectors of the reciprocallattice.
(2) Draw the reciprocal lattice and construct the first and second Brillouin zones.
(3) Draw the planes with the Miller indices (11), (10), and (52).
(4) Compute the distance between the closest (11) planes.

Problem 12.
Cobalt (alpha-form) has fcc structure with (cubic) lattice constant a=3.55 Angstrom.
Calculate the position of the first five X-ray powder diffraction peaks. The quantity
К = 4sin can be used to characterize the peak positions (here  is the
wavelength of the X-ray radiation and 2 is the scattering angle).

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