Give step-by-step solution with explanation and final answer:1. (20pts) () Calculate structure factor and diffraction intensity of BCC. (b) Draw diffraction pattern along beam direction of [111] and index the points. Ignore intensity variations.
Question:
Give step-by-step solution with explanation and final answer:
1. (20pts)
() Calculate structure factor and diffraction intensity of BCC.
(b) Draw diffraction pattern along beam direction of [111] and index the points.
Ignore intensity variations.
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Asked by: Test User 100044
Created at: 2025-05-06 11:00:58
Asked by: Test User 100044
Created at: 2025-05-06 11:00:58
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### 1(a) **Structure Factor and Diffraction Intensity of BCC**
#### **Step 1: Structure Factor Formula**
The general formula for the structure factor is:
\[
F_{hkl} = \sum_{j} f_j \exp[2\pi i (h x_j + k y_j + l z_j)]
\]
where:
- \( f_j \) = atomic scattering factor for atom \( j \)
- \( (x_j, y_j, z_j) \) = fractional coordinates of atom \( j \) in the unit cell
- \( (hkl) \) = Miller indices of the plane
#### **Step 2: Atomic Positions in BCC**
For a body-centered cubic (BCC) lattice:
- Corner atoms at \( (0, 0, 0) \)
- Body center atom at \( (\frac{1}{2}, \frac{1}{2}, \frac{1}{2}) \)
Assume both atoms are the same type, so \( f_1 = f_2 = f \).
#### **Step 3: Plug Positions into Structure Factor**
\[
F_{hkl} = f \left[ e^{2\pi i (0)} + e^{2\pi i \left(h \frac{1}{2} + k \frac{1}{2} + l \frac{1}{2}\right)} \right]
\]
\[
= f \left[1 + e^{\pi i (h + k + l)} \right]
\]
Recall:
- If \(h + k + l\) is even: \(e^{\pi i (h + k + l)} = 1\)
- If \(h + k + l\) is odd: \(e^{\pi i (h + k + l)} = -1\)
So:
\[
F_{hkl} =
\begin{cases}
2f & \text{if } (h + k + l) \text{ is even} \\
0 & \text{if } (h + k + l) \text{ is odd}
\end{cases}
\]
#### **Step 4: Diffraction Intensity**
Intensity is proportional to the square of the structure factor:
\[
I_{hkl} \propto |F_{hkl}|^2
\]
So,
\[
I_{hkl} =
\begin{cases}
4f^2 & \text{if } (h + k + l) \text{ is even} \\
0 & \text{if } (h + k + l) \text{ is odd}
\end{cases}
\]
---
### 1(b) **Diffraction Pattern Along Beam Direction [1̅11]**
#### **Step 1: Understand the Zone Axis**
The beam is along \([1\bar{1}1]\). The reciprocal lattice planes that satisfy the zone law:
\[
ha + kb + lc = 0
\]
For \([uvw]\) direction: \(hu + kv + lw = 0\)
Plugging in for \([1\bar{1}1]\):
\[
h(1) + k(-1) + l(1) = 0 \implies h - k + l = 0
\]
So, only those (hkl) planes that satisfy \(h - k + l = 0\) will appear in the pattern.
#### **Step 2: List Some Allowed (hkl) (Also Must Satisfy BCC Selection Rule)**
Also, remember for BCC, \(h + k + l\) must be even.
Let’s find some low-index points:
- (0,1,1): \(0-1+1=0\), \(0+1+1=2\) ⇒ **Allowed**
- (1,0,1): \(1-0+1=2\) ⇒ Not allowed by zone law
- (1,1,0): \(1-1+0=0\), \(1+1+0=2\) ⇒ **Allowed**
- (2,1,1): \(2-1+1=2\) ⇒ Not allowed by zone law
- (2,0,2): \(2-0+2=4\), \(2+0+2=4\) ⇒ **Allowed**
- (0,2,2): \(0-2+2=0\), \(0+2+2=4\) ⇒ **Allowed**
- (2,2,0): \(2-2+0=0\), \(2+2+0=4\) ⇒ **Allowed**
- (1,2,1): \(1-2+1=0\), \(1+2+1=4\) ⇒ **Allowed**
#### **Step 3: Sketch the Pattern**
- Place the direct beam at the center (labeled as 000).
- Draw spots for the allowed reflections found above.
- Index the points as (011), (110), (202), (022), (220), (121), etc.
**[You would typically draw this as a 2D pattern with the central spot labeled 000, and the other spots symmetrically around it, with their respective indices.]**
---
### **Summary**
#### **(a)**
- **BCC Structure Factor:** \(F_{hkl} = 2f\) if \(h+k+l\) even, 0 if odd
- **Intensity:** \(I_{hkl} = 4f^2\) if \(h+k+l\) even, 0 if odd
#### **(b)**
- **Diffraction pattern along \([1\bar{1}1]\):**
- Only those (hkl) with \(h - k + l = 0\) and \(h+k+l\) even.
- Example indices: (011), (110), (202), (022), (220), (121), etc.
- Draw the pattern, center at (000), index the points.
**If you need a hand-drawn sketch, let me know!**
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