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Results tagged with crystals
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user 260522
Crystals are solid material whose constituents, such as atoms, molecules or ions, are *arranged in a highly ordered microscopic pattern*, a crystal lattice that extends with regularity in all directions. Use for all crystallography and ordered structure topics.
3
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0
answers
72
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Born–von Kármán (BvK) Supercell
I have come across in the literature Born–von Kármán (BvK) Supercell, which are described as a unit cell that is repeated periodically. However, say in a calculation that is derived using a BvK superc …
- 165
1
vote
1
answer
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Brillouin Zone Summation
If one has the following summation:
$$\frac{1}{A}\sum_{\vec{k}} F(\vec{k})$$
which is taken over all k-space and $A$ is the area of the unit cell from the system itself. I want to them limit this to b …
- 165
3
votes
0
answers
67
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Discretising Hexgonal Brillouin Zone
I am looking at a system at which I have a 2D Hexagonal Brillouin Zone (BZ). The aim is to take the following type of procedure:
$$
\frac{A}{(2\pi)^2}\int_{BZ} F(\vec{k}) d\vec{k} \hspace{5pt} \Righta …
- 165