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Recitation 1 Solutions

The document contains 10 questions related to crystal structures and properties. It includes calculations of ionic character, atomic packing factor, planar density, interplanar spacing, atomic radius, and vacancy formation energy using equations, physical constants, and given values for materials like TiO2, CsCl, aluminum.

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0% found this document useful (0 votes)
52 views15 pages

Recitation 1 Solutions

The document contains 10 questions related to crystal structures and properties. It includes calculations of ionic character, atomic packing factor, planar density, interplanar spacing, atomic radius, and vacancy formation energy using equations, physical constants, and given values for materials like TiO2, CsCl, aluminum.

Uploaded by

fzfwsbyxrh
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Question - 1

The net potential energy between two adjacent ions, EN, may be represented by the equation;

𝑨 𝑩
𝑬𝑵 = − + 𝒏
𝑹 𝒓
a) Calculate the bonding energy E0 in terms of the parameters A, B, and n using the following procedure:
b)Differentiate EN with respect to r, and then set the resulting expression equal to zero, since the curve of EN versus r
is a minimum at E0.
c)Solve for r in terms of A, B, and n, which yield r0, the equilibrium interionic spacing.
d)Determine the expression for E0 by substitution of r0 into above equation.

) Now, solving for r (= r0)

or
Question - 2
Compute the percents ionic character of the interatomic bonds for the following compounds: TiO2, ZnTe,
CsCl, InSb, and MgCl2. TiO , X = 1.5 , X = 3.5
2 Ti O

(1.5−3.5)2

%IC = [1 − 𝑒 4 ] x 100 = 63.2 %
% ionic character =
ZnTe , XZn = 1.6 , XTe = 2.1

(1.6−2.1)2

%IC = [1 − 𝑒 4 ] x 100 = 6.1 %

CsCl , XCs = 0.7 , XCl = 3.0

(0.7−3.0)2

%IC = [1 − 𝑒 4 ] x 100 = 73.4 %

InSb , XIn = 1.7 , XSb = 1.9

(1.7−1.9)2

%IC = [1 − 𝑒 4 ] x 100 = 1.0 %

MgCl2 , XMg = 1.2 , XCl = 3.0

(1.2−3.0)2

%IC = [1 − 𝑒 4 ] x 100 = 55.5 %
Question - 3
a) What are the indices for the directions indicated by the two vectors in the sketch below?
Question - 3
a) What are the indices for the directions indicated by the two vectors in the sketch below?
Question - 4
b) Within a cubic cell, draw the following directions.
Question - 4
a) Determine the Miller indices for the planes shown in the following unit cell:

+z

+y

+x
Question - 4
b) Determine the Miller indices for the planes shown in the following unit cell:
Question - 3
b) Determine the Miller indices for the planes shown in the following unit cell:
Question - 5
Calculate the radius of a Ta atom, given that Ta has a BCC crystal structure, a density of 16.6 g/cm3, and an atomic
weight of 180.9 g/mol.

𝑛 𝐴 𝑇𝑎
𝜌=
𝑉𝑐 𝑁𝐴
Question - 6
Compute the atomic packing factor (APF) for cesium chloride (CsCl) crystal structure in which rC/rA = 0.732.

𝑛 𝐴 𝑇𝑎
𝜌=
𝑉𝑐 𝑁𝐴
Question - 7
The unit cell of tin has tetragonal symmetry, with a and c lattice parameters of 0.583 and 0.318 nm,
respectively. If its density, atomic weight, and atomic radius are 7.30 g/cm3, 118.69 g/mol, and 0.151 nm,
respectively, compute the atomic packing factor (APF).

𝑡𝑜𝑡𝑎𝑙 𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑡ℎ𝑒 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑉𝑠


𝐴𝑃𝐹 = =
𝑡𝑜𝑡𝑎𝑙 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑣𝑜𝑙𝑢𝑚𝑒 𝑉𝑐

𝑔
7.30 ൗ 3 𝑥 5.83 𝑥10−8 𝑐𝑚 2 (3.18 𝑥 10−8 𝑐𝑚)(6.022 𝑥 1023 𝑎𝑡𝑜𝑚𝑠/𝑚𝑜𝑙)
𝑛= 𝑐𝑚
118.69 𝑔/𝑚𝑜𝑙

= 4.00 atoms/unit cell

4
𝑉𝑠 4 𝑥 ( 𝑥 π 𝑥 𝑅3 )
𝐴𝑃𝐹 = = 3
𝑉𝑐 𝑎2 𝑥 𝑐
4
4 𝑥 [3 𝑥 π 𝑥 1.51 𝑥 10−8 𝑐𝑚 3 ]
= = 𝟎. 𝟓𝟑𝟒
(5.83 𝑥 10−8 𝑐𝑚)2 𝑥 (3.18 𝑥 10−8 𝑐𝑚)
Question - 8
Derive the planar density expressions for FCC (100) and (111) planes in terms of the atomic radius R.

2R√2 (a = 2R√2)
(2R√2)2 = 8R2
Question - 9
The metal rhodium has an FCC crystal structure. If the angle of diffraction for the (311) set of planes occurs at 36.12º
(first-order reflection) when monochromatic x-radiation having a wavelength of 0.0711 nm is used, compute
a) The interplanar spacing for this set of planes 𝑎
𝑛λ = 2𝑑𝑠𝑖𝑛θ 𝑑=
b) The atomic radius for a rhodium atom ℎ2 + 𝑘 2 + 𝑙 2
Question - 10
Calculate the activation energy for vacancy formation in aluminum, given that the equilibrium number of
vacancies at 500°C (773 K) is 7.57 × 1023 m-3. The atomic weight and density (at 500°C) for aluminum are,
respectively, 26.98 g/mol and 2.62 g/cm3.

Aal = 26.98 g/mol ρAl = 2.62 g/cm3

𝑔
6.022 𝑥 1023 𝑎𝑡𝑜𝑚𝑠ൗ𝑚𝑜𝑙 𝑥 (2.62 ൗ 3 )
𝑁= 𝑐𝑚 = 5.85 𝑥 1022 𝑎𝑡𝑜𝑚𝑠 = 5.85 𝑥 1028 𝑎𝑡𝑜𝑚𝑠
𝑔 ൗ𝑐𝑚 3 ൗ𝑚3
26.98 ൗ𝑚𝑜𝑙

𝑒𝑉ൗ 7.57 𝑥 1023 𝑚−3


𝑄𝑣 = − 8.62 𝑥 10−5 𝑎𝑡𝑜𝑚 − 𝐾 (500 + 273 𝐾) ln 5.85 𝑥 1028 𝑚−3 = 0.75 𝑒𝑉/𝑎𝑡𝑜𝑚

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