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Verified Commit 22c53917 authored by Anton Akhmerov's avatar Anton Akhmerov
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more proofreading

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......@@ -270,14 +270,13 @@ fig.show()
To find the reciprocal lattice vectors, we use the relation
$$
\mathbf{a_i}\cdot\mathbf{b_j}=2\pi\delta_{ij}.
$$
The relation leads to several simple conclusions.
One such conclusion is the orthogonality between several real-space and reciprocal lattice vectors:
\mathbf{a_i}\cdot\mathbf{b_j}=2\pi\delta_{ij},
$$
\mathbf{a}_1\cdot\mathbf{b}_2=\mathbf{a}_2\cdot\mathbf{b}_1=0.
which gives us the following equations:
$$
We also find
\mathbf{a}_1\cdot\mathbf{b}_2=\mathbf{a}_2\cdot\mathbf{b}_1=0,
$$
and
$$
\mathbf{a}_1\cdot\mathbf{b}_1=\mathbf{a}_2\cdot\mathbf{b}_2=2\pi.
$$
......@@ -287,12 +286,12 @@ $$
$$
where $\theta_i$ is the angle between the vectors $\mathbf{a}_i$ and $\mathbf{b}_i$.
To find the angles $\theta_1$ and $\theta_2$, we use the orthogonality relations above and the fact that the angle between $\mathbf{a}_1$ and $\mathbf{a}_2$ is $60^\circ$.
From this we conclude that $\theta_1 = \theta_2 = 30^\circ$.```
From this we conclude that $\theta_1 = \theta_2 = 30^\circ$.
Because $\lvert \mathbf{a}_1 \rvert = \lvert \mathbf{a}_2 \rvert = a$, we find
$$
\lvert \mathbf{b}_1 \rvert = \lvert \mathbf{b}_2 \rvert = \frac{4\pi}{a\sqrt{3}}.
$$
Unsurprisingly, we find that the lengths of the reciprocal lattice vectors are equal and have inverse dependence on the lattice constant $a$.
Unsurprisingly, we find that the lengths of the reciprocal lattice vectors are equal and inversely proportional to the lattice constant $a$.
With $\lvert \mathbf{b}_2 \rvert$ and $\mathbf{a}_1 \perp \mathbf{b}_2$, we easily find
$$
\mathbf{b}_2 = \frac{4\pi}{a\sqrt{3}} \mathbf{\hat{y}}.
......@@ -305,17 +304,16 @@ $$
$$
??? Question "Is the choice of a set of reciprocal lattice vectors unique? If not, which other ones are possible?"
No. As is the case for the real-space lattice vectors, the choice of a set of reciprocal lattice vectors is not unique.
There are multiple sets of reciprocal lattice vectors that fulfill all criteria.
The reciprocal lattice vectors that also fullfil the criteria are
There are many equivalent ways to choose lattice vectors of the reciprocal lattice. In the example above we could as well use
$$
\mathbf{b}_1 = \frac{4\pi}{a\sqrt{3}} \left(-\frac{\sqrt{3}}{2} \mathbf{\hat{x}} + \frac{1}{2}\mathbf{\hat{y}} \right) \quad \text{and} \quad \mathbf{b}_2 = -\frac{4\pi}{a\sqrt{3}} \mathbf{\hat{y}}.
$$
There is however only one choice that satisfies the relations $\mathbf{a_i}\cdot\mathbf{b_j}=2\pi\delta_{ij}$.
### 3D lattice example
### Generalization to a 3D lattice
We generalize the procedure above to a 3D lattice.
The reciprocal lattice vectors can be composed directly from their real-space counterparts:
Let us now consider a more involved example of the 3D lattice.
The explicit expression for the reciprocal lattice vectors in terms of their real space counterparts is:
$$
\mathbf{b}_1=\frac{2\pi(\mathbf{a}_2\times\mathbf{a}_3)}{ \mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})}
......@@ -329,10 +327,10 @@ $$
\mathbf{b_3}=\frac{2\pi(\mathbf{a}_1\times\mathbf{a}_2)}{ \mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})}
$$
Note that the denominator $V = \mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})$ is the volume of the real-space unit cell spanned by the lattice vectors $\mathbf{a}_1$, $\mathbf{a}_2$ and $\mathbf{a}_3$.
The definitions of the reciprocal lattice vectros are cyclic: $\mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})=\mathbf{a}_2\cdot(\mathbf{a_3}\times\mathbf{a}_1)=\mathbf{a_3}\cdot(\mathbf{a}_1\times\mathbf{a}_2)$.
Note that the denominator $\mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})$ is the volume $V$ of the real-space unit cell spanned by the lattice vectors $\mathbf{a}_1$, $\mathbf{a}_2$ and $\mathbf{a}_3$.
### The reciprocal lattice as a Fourier transform
One can also think of the reciprocal lattice as a Fourier transform of the real-space lattice.
For simplicity, we illustrate this for a 1D lattice (the same principles apply to a 3D lattice).
We model the real-space lattice as a density function consisting of delta peaks:
......
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