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Structure and Properties of materials

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8 views

Structure and Properties of materials

Uploaded by

fatihakhanam2003
Copyright
© © All Rights Reserved
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Download as PDF, TXT or read online on Scribd
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Lecture-04

Crystal planes and Miller Indices


(Index system for crystal directions and planes)
Crystal directions:
A crystallographic direction is defined as a line directed between two points, or a vector. We
know that any lattice vector can be written as that given by 𝑇 ⃗ = 𝑛1 𝒂 + 𝑛2 𝒃 + 𝑛3 𝒄. The
direction is then specified by the three integers [𝑛1 𝑛2 𝑛3 ]. If the numbers 𝑛1 𝑛2 𝑛3 have a
common factor, this factor is removed. For example, [111] is used rather than [222], or [100],
rather than [400]. When we speak about directions, we mean a whole set of parallel lines, which
are equivalent due to transnational symmetry. Opposite orientation is denoted by the negative
sign over a number. For example, [01Ī]:

How to find crystal direction:


1. A right-handed x-y-z coordinate system is first constructed. As a matter of convenience,
its origin may be located at a unit cell corner.
2. The coordinates of two points that lie on the direction vector (referenced to the
coordinate system) are determined—for example, for the vector tail, point 1: x1, y1, and
z1; whereas for the vector head, point 2: x2, y2, and z2.
3. Tail point coordinates are subtracted from head point components—that is, x2-x1, y2-y1,
and z2-z1.
4. These coordinate differences are then normalized in terms of (i.e., divided by) their
respective a, b, and c lattice parameters—that is which yields a set of three numbers.
𝑥2 − 𝑥1 𝑦2 − 𝑦1 𝑧2 − 𝑧1
, ,
𝑎 𝑏 𝑐
5. If necessary, these three numbers are multiplied or divided by a common factor to
reduce them to the smallest integer values.

6. The three resulting indices, not separated by commas, are enclosed in square brackets,
thus: [𝑛1 𝑛2 𝑛3 ]. The 𝑛1 𝑛2 𝑛3 integers correspond to the normalized coordinate
differences referenced to the x, y, and z axes, respectively. The n1, n2, and n3 indices
may be determined using the following equations

(𝑥2 − 𝑥1 ) (𝑦2 − 𝑦1 ) (𝑧2 − 𝑧1 )


𝑛1 = 𝑛 , 𝑛2 = 𝑛 , 𝑛3 = 𝑛
𝑎 𝑏 𝑐

Lecture-04 IPE Dr. Ratan C. Gosh


Physics Dept. DU
Examples

Lecture-04 IPE Dr. Ratan C. Gosh


Physics Dept. DU
Crystal planes
The orientation of a plane in a lattice is specified by Miller indices. They are defined as follows.
We find intercept of the plane with the axes along the primitive translation vectors a, b and c.
Let’s these intercepts be x, y, and z, so that x is fractional multiple of a, y is a fractional multiple
of b and z is a fractional multiple of c. Therefore, we can measure x, y, and z in units a, b and
c respectively. We have then a triplet of integers (x y z). Then we invert it (1/x 1/y 1/z) and
reduce this set to a similar one having the smallest integers multiplying by a common factor.
This set is called Miller indices of the plane (hkl). For example, if the plane intercepts x, y, and
z in points 1, 3, and 1, the index of this plane will be (313).

The orientation of a crystal plane is determined by three points in the plane, provided they are
not collinear. If each point lay on a different crystal axis, the plane could be specified by giving
the co-ordinates of the points in terms of the lattice constants a, b, c. A notation conventionally
used to describe lattice points (sites), directions and planes is known as Miller Indices. A crystal
lattice may be considered as an assembly of equidistant parallel planes passing through the
lattice points and are called lattice planes. In order to specify the orientation, one employs the
so-called Miller indices. For simplicity, let us start with a two-dimensional lattice and then
generalized to three-dimensional case.

The equations of plane in 2-D and 3D having the intercepts a, b and a, b, c respectively is
𝑥 𝑦 𝑥 𝑦 𝑧
+ 𝑏 = 1 and 𝑎 + 𝑏 + 𝑐 = 1
𝑎
Crystal direction is the direction (line) of axes or line from the origin and denoted as [111],
[100], [010], etc.

How to find Miller Indices


To determine the indices for the plane P, first we have to find the intercepts with the axes along
the basis vector 𝑎, b, and c. Let these intercepts be x, y, z.
𝑥 𝑦 𝑧
1. Form the fractional triplet (𝑎 , 𝑏 , 𝑐 )
2. Take reciprocal to this set.
3. Then reduce this set to a similar one having the smallest integers multiplying by
common factor.
4. This last set is enclosed in parentheses (h k l), is called the index of the plane or Miller
Indices. The Miller indices specify not just one plane but an infinite set of equivalent
planes. Note that for cubic crystals the direction [hkl] is perpendicular to a plane (hkl)
having the same indices, but this is not generally true for other crystal systems.
Examples of the planes in a cubic system.

Lecture-04 IPE Dr. Ratan C. Gosh


Physics Dept. DU
Example: Determine the Miller Indices of a plane which is parallel to x-axis and cuts
intercepts of 2 and1 2, respectively along y and z axes.
Solution:
i) Intercepts  2b 1/2 𝑐
ii) Division by unit translation ∞/𝑎 =∞ 2𝑏/𝑏=2 c/2(/c) =1/2
iii) Reciprocals 1/∞ 1/2 2
iv) After clearing fraction 0 1 4
Therefore, the required Miller indices of the plane (014)
Example: Determine the M. I. of a plane that makes intercepts of 2Å, 3 Å, 4 Å on the coordinate
axes of an orthorhombic crystal with a:b:c = 4:3:2
Solution:
Here the unit translations are a = 4, b = 3 and c = 2 following the same procedure
i) Intercepts 2 3 4
ii) Division by unit translation 2/4 =1/2 3/3 =1 4/2 =2
iii) Reciprocals 2 1 1/2
iv) After clearing fraction 4 2 1
Therefore, the Miller indices of the plane is (421)

Lecture-04 IPE Dr. Ratan C. Gosh


Physics Dept. DU
Relation between interplanar spacing and Miller indices
Let us consider three mutually perpendicular coordinate axis, OX, OY, and OZ and assume that
a plane (hkl) parallel to the plane passing through the origin makes intercepts a/h, b/k and c/l
on the three axes at A. B and C respectively as shown in figure.

Let OP = dhkl, the interplanar spacing be normal to the plane drawn from the origin and makes
angle α, β, and γ with the three axes respectively.
Therefore, 𝑂𝐴=𝑎/ℎ, 𝑂𝐵=𝑏/𝑘, 𝑂𝐶=𝑐/𝑙
From OPA we get, 𝑐𝑜𝑠𝛼=𝑂𝑃/𝑂𝐴 =𝑑ℎ𝑘𝑙/(𝑎/ℎ), From OPB we get 𝑐𝑜𝑠𝛽=𝑂𝑃/𝑂𝐵 =𝑑ℎ𝑘𝑙/(𝑏/𝑘)
from OPC we get 𝑐𝑜𝑠𝛾=𝑂𝑃/𝑂𝐶 =𝑑ℎ𝑘𝑙/(𝑐/𝑙)
But, for a rectangular coordinate system, using directional cosine we have
cos2 + cos2 + cos2 = 1 (1)
Substituting the values of cos, cos and cos in Eq. (1) we get,
2 (ℎ2
𝑑ℎ𝑘𝑙 /𝑎2 + 𝑘 2 /𝑏 2 + 𝑙 2 /𝑐 2 ) = 1
1
𝑑ℎ𝑘𝑙 =
√(ℎ2 /𝑎2 +𝑘 2 /𝑏2 +𝑙 2 /𝑐 2 )
This is the general formula and is applicable to the primitive lattice of orthorhombic, tetragonal
and cubic systems.

Lecture-04 IPE Dr. Ratan C. Gosh


Physics Dept. DU

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