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```
Despite us knowing that both real-space and reciprocal lattice vectors are somehow related to eachother, we do not yet know their exact relation.
We do however know that they are subject to
To find the reciprocal lattice vectors, we use the relation
$$
\mathbf{a_i}\cdot\mathbf{b_j}=2\pi\delta_{ij}.
$$
This tells us that
The relation leads to several simple conclusions.
One such conclusion is the orthogonality between several real-space and reciprocal lattice vectors:
$$
\mathbf{a}_1\cdot\mathbf{b}_2=\mathbf{a}_2\cdot\mathbf{b}_1=0,
\mathbf{a}_1\cdot\mathbf{b}_2=\mathbf{a}_2\cdot\mathbf{b}_1=0.
$$
showing us that $\mathbf{a}_1$ is perpendicular to $\mathbf{b}_2$ and $\mathbf{a}_2$ is perpendicular to $\mathbf{b}_1$.
We also find
$$
\mathbf{a}_1\cdot\mathbf{b}_1=\mathbf{a}_2\cdot\mathbf{b}_2=2\pi.
......@@ -284,16 +283,16 @@ $$
\lvert \mathbf{a}_1 \rvert \lvert \mathbf{b}_1 \rvert =\frac{2\pi}{\cos(\theta_1)} \:\: \text{and} \:\: \lvert \mathbf{a}_2 \rvert \lvert \mathbf{b}_2 \rvert =\frac{2\pi}{\cos(\theta_2)},
$$
where $\theta_i$ is the angle between the vectors $\mathbf{a}_i$ and $\mathbf{b}_i$.
To find the angles $\theta_1$ and $\theta_2$, we use the fact that the angle between $\mathbf{a}_1$ and $\mathbf{a}_2$ is $60^\circ$,that $\mathbf{a}_1 \perp \mathbf{b}_2$ and that $\mathbf{a}_2 \perp \mathbf{b}_1$.
From this we conclude that $\theta_1 = \theta_2 = 30^\circ$.
To find the angles $\theta_1$ and $\theta_2$, we use the orthogonality relations above and the fact that the angle between $\mathbf{a}_1$ and $\mathbf{a}_2$ is $60^\circ$.
From this we conclude that $\theta_1 = \theta_2 = 30^\circ$.```
Because $\lvert \mathbf{a}_1 \rvert = \lvert \mathbf{a}_2 \rvert = a$, we find
$$
\lvert \mathbf{b}_1 \rvert = \lvert \mathbf{b}_2 \rvert = \frac{4\pi}{a\sqrt{3}}.
$$
Unsurprisingly, we find that the lengths of the reciprocal lattice vectors are the same and that the reciprocal lattice has a reciprocal dependence on the lattice constant $a$.
Unsurprisingly, we find that the lengths of the reciprocal lattice vectors are equal and have inverse dependence on the lattice constant $a$.
With $\lvert \mathbf{b}_2 \rvert$ and $\mathbf{a}_1 \perp \mathbf{b}_2$, we easily find
$$
\mathbf{b}_2 = \frac{4\pi}{a\sqrt{3}} \mathbf{\hat{y}}
\mathbf{b}_2 = \frac{4\pi}{a\sqrt{3}} \mathbf{\hat{y}}.
$$
We follow the same procedure to find $\mathbf{b}_1$:
......@@ -304,7 +303,7 @@ $$
??? 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 lattcie vectors that fullfil all criteria.
There are multiple sets of reciprocal lattice vectors that fulfill all criteria.
The reciprocal lattice vectors that also fullfil the criteria are
$$
\mathbf{b}_1 = \frac{4\pi}{a\sqrt{3}} \left(-\frac{\sqrt{3}}{2} \mathbf{\hat{x}} + \frac{1}{2}\mathbf{\hat{y}} \right) \quad \text{and} \quad \mathbf{b}_2 = -\frac{4\pi}{a\sqrt{3}} \mathbf{\hat{y}}.
......@@ -327,39 +326,38 @@ $$
\mathbf{b_3}=\frac{2\pi(\mathbf{a}_1\times\mathbf{a}_2)}{ \mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})}
$$
Note that the denominator $V = \mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})$ is the volume of the real-space unit cell spanned by the real-space lattice vectors $\mathbf{a}_1$, $\mathbf{a}_2$ and $\mathbf{a}_3$.
These definitions of the reciprocal lattice vectros are cyclic: $\mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})=\mathbf{a}_2\cdot(\mathbf{a_3}\times\mathbf{a}_1)=\mathbf{a_3}\cdot(\mathbf{a}_1\times\mathbf{a}_2)$.
Note that the denominator $V = \mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})$ is the volume of the real-space unit cell spanned by the lattice vectors $\mathbf{a}_1$, $\mathbf{a}_2$ and $\mathbf{a}_3$.
The definitions of the reciprocal lattice vectros are cyclic: $\mathbf{a}_1\cdot(\mathbf{a}_2\times\mathbf{a_3})=\mathbf{a}_2\cdot(\mathbf{a_3}\times\mathbf{a}_1)=\mathbf{a_3}\cdot(\mathbf{a}_1\times\mathbf{a}_2)$.
### The reciprocal lattice as a Fourier transform
One can also think of the reciprocal lattice as being a Fourier transform of the real-space lattice.
For simplicity, we illustrate this for a 1D lattice (the same principles can be applied to a 3D lattice).
We imagine the real-space lattice as a density function consisting of delta peaks:
One can also think of the reciprocal lattice as a Fourier transform of the real-space lattice.
For simplicity, we illustrate this for a 1D lattice (the same principles apply to a 3D lattice).
We model the real-space lattice as a density function consisting of delta peaks:
$$
\rho(x)=\sum_{n} \delta(x-na)
$$
We take the Fourier transform of this function:
We take the Fourier transform of this function to find:
$$
{\mathcal F}_{k}\left[\rho(x)\right]=\int_\infty^\infty \mathrm{d}x\ \mathrm{e}^{ikx} \rho(x)=\sum_{n} \int_\infty^\infty \mathrm{d}x\ \mathrm{e}^{ikx} \delta(x-na)=\sum_{n} \mathrm{e}^{ikna}
{\mathcal F}_{k}\left[\rho(x)\right]=\int_{-\infty}^\infty \mathrm{d}x\ \mathrm{e}^{ikx} \rho(x)=\sum_{n} \int_{-\infty}^\infty \mathrm{d}x\ \mathrm{e}^{ikx} \delta(x-na)=\sum_{n} \mathrm{e}^{ikna}
$$
This sum is non-zero only if $k=2\pi m/a$.
Therefore, we can rewrite this as:
If we recall the beginning of the lecture, then these points correspond to reciprocal lattice points $G$.
Therefore, we rewrite this into the form
$$
{\mathcal F}_{k}\left[\rho(x)\right]=\frac{2\pi}{|a|}\sum_{m} \delta\left(k-\frac{2\pi m}{a}\right)
{\mathcal F}_{k}\left[\rho(x)\right]=\frac{2\pi}{|a|}\sum_{m} \delta\left(k-G\right).
$$
However, in the beginning of the lecture we studied a 1D reciprocal lattice and saw that the reciprocal lattice points are given by $G = 2\pi m/a$.
Thus the values of $k$ lie on reciprocal lattice points and the Fourier tranform of the real-space lattice is thus a reciprocal lattice.
In other words, Fourier transforming a real-space lattice yields a reciprocal lattice!
The above can easily be generalized to three dimensions:
Therefore, we see that the Fourier transform is non-zero only at reciprocal lattice points.
In other words, Fourier transforming a real-space lattice yields a reciprocal lattice!
The above result generalizes directly to three dimensions:
$$
{\mathcal F}_\mathbf{k}\left[\rho(\mathbf{r})\right]=\int \mathrm{d}\mathbf{r}\ \mathrm{e}^{i\mathbf{k}\cdot\mathbf{r}} \rho(\mathbf{r}) = \sum_\mathbf{G}\delta(\mathbf{k}-\mathbf{G}),
{\mathcal F}_\mathbf{k}\left[\rho(\mathbf{r})\right]=\int \mathrm{d}\mathbf{r}\ \mathrm{e}^{i\mathbf{k}\cdot\mathbf{r}} \rho(\mathbf{r}) = \sum_\mathbf{G}\delta(\mathbf{k}-\mathbf{G}).
$$
with $\mathbf{G}$ being the reciprocal lattice.
### Periodicity of the reciprocal lattice
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