Superlattice Reflections
Superlattice Reflections
Superlattice Reflections
1. Concept/Meaning
2. Structure Identification
3. Example
Meaning of Superlattice
The American metallurgist Bain in 1923, obtained evidence for a gold-copper solid solution.
Positions
are fixed
• These probabilities are the same for every site and, considering the structure as a whole,
a statistically “average” gold-copper atom occupies each site.
• Gold atoms in a perfectly ordered alloy occupy only the corner positions of the unit cube
and the copper atoms in the face-centered positions, as illustrated in Figure above.
Cullity, B. D. (1956). Elements of X-ray Diffraction. Addison-Wesley Publishing.
Structure Factor Calculation
Note: The intensity of the peak is weak. Tsai, M. H., & Yeh, J. W. (2014). Materials Research Letters, 2(3), 107-123.
LRO
By XRD
Disordered
Partially ordered
Completely ordered
Figure: Powder patterns of (very coarse-grained) made with filtered copper radiation: (a) quenched from 440°C (disordered):
(b) held 30 min at 360°C and quenched (partially ordered): (c) slowly cooled from 360°C to room temperature (completely
ordered)
Cullity, B. D. (1956). Elements of X-ray Diffraction. Addison-Wesley Publishing.
Long Range Order 𝒓 𝑨− 𝑭 𝑨
𝑳=
𝟏− 𝑭 𝑨
Long Range Order Parameter
Fraction of Sites occupied by ‘right’ atoms
Fraction of A atoms in the alloy
Muralikrishna, G. M., Esther, A. C. M., Guruvidyathri, K., Watermeyer, P., Liebscher, C. H., Kulkarni, K. N., ... & Murty, B. S. (2020). Metals, 10(11), 1411.
Superlattice-line intensity is generally proportional to (
It is possible to get
Intensity by experiment
The long-range order parameter (L) with the relative intensity ratios (I100/I110) are linear fitted.