diff --git a/src/2_debye_model.md b/src/2_debye_model.md index f5031d038dbbfa389f41ac853c06b2184129ea72..1f78d207d0641c7d8a2edf1926bea0b74d51613b 100644 --- a/src/2_debye_model.md +++ b/src/2_debye_model.md @@ -131,10 +131,7 @@ Periodic boundary conditions imply that the atomic displacement $\mathbf{\delta $$ \mathbf{\delta r}(\mathbf{r} + L\mathbf{\hat{x}}) = \mathbf{\delta r}(\mathbf{r}) $$ -To satisfy this equation, we arrive at the condition $k_x=p 2 \pi/L$, with $p= ..., -2, -1, 0, 1, 2$ in $\mathbb{Z}$. - -The same condition holds for the $x$- and $y$-direction. We see that periodicity implies that not all the points in $k$-space are allowed. -Instead only waves for which each component $k_x, k_y, k_z$ of the $\mathbf{k}$-vector belongs to the set +To satisfy this equation, we arrive at the condition $k_x=p 2 \pi/L$, with $p= ..., -2, -1, 0, 1, 2, ...$ in $\mathbb{Z}$. The same condition holds for the $x$- and $y$-direction. We see that periodicity implies that not all the points in $k$-space are allowed. Instead only waves for which each component $k_x, k_y, k_z$ of the $\mathbf{k}$-vector belongs to the set $$k_{x,y,z}=…, \frac{-4\pi}{L}, \frac{-2\pi}{L}, 0, \frac{2\pi}{L}, \frac{4\pi}{L}, …$$ satisfy the periodic boundary conditions. @@ -142,7 +139,7 @@ The allowed $k$-vectors form a regular grid in $k$-space (also referred to as *r  -In three dimensions, there is exactly one allowed ${\bf k}$-value per volume $\left(\frac{2\pi}{L}\right)^3$ in reciprocal space. +We see that in three dimensions, there is exactly one allowed ${\bf k}$-value per volume $\left(\frac{2\pi}{L}\right)^3$ in reciprocal space. When we consider larger and larger box sizes $L→∞$, the volume per allowed mode becomes smaller and smaller, and eventually we obtain an integral: $$ @@ -152,7 +149,7 @@ $$ ## Density of states -Let's use this knowledge to continue our calculation of the total energy: +Let's use this knowledge to continue our calculation of the total energy stored in the normal modes of our solid at temperature $T$: $$ \begin{align} E &= \frac{L^3}{(2\pi)^3}\iiint\limits_{-∞}^{∞}dk_x dk_y dk_z × 3×\left(\frac{1}{2}\hbar\omega(\mathbf{k})+\frac{\hbar\omega(\mathbf{k})}{ {\rm e}^{\hbar\omega(\mathbf{k})/{k_{\rm B}T}}-1}\right),\\ @@ -161,7 +158,7 @@ E &= \frac{L^3}{(2\pi)^3}\iiint\limits_{-∞}^{∞}dk_x dk_y dk_z × 3×\left(\f $$ The factor $3$ accounts for three possible directions of displacement (wave polarizations). -To compute this integral, we observe that the integrand depends only on $|\mathbf{k}|$, and therefore switching to spherical coordinates is the way to go: +To compute the integral, we observe that the integrand depends only on $|\mathbf{k}|$, and therefore switching to spherical coordinates is the way to go: $$ \begin{align} @@ -171,9 +168,9 @@ E &= \frac{L^3}{(2\pi)^3}\int\limits_0^{2π}d\varphi\int\limits_0^π \sin θ\;d \end{align} $$ -In the last expression everything inside the brackets is about Bose-Einstein statistics, while all the prefactors together are specific to the problem we are studying. +In the last expression everything inside the brackets is about Bose-Einstein statistics, while the prefactors are specific to the problem we are studying. -We can emphasize this further by introducing a new concept, _density of states_, $g(\omega)$, which is a central concept in this course. +We can emphasize this further by introducing a new concept: the _density of states_ $g(\omega)$ > The density of states $g(ω)$ is the number of available normal modes per infinitesimal interval $δω$.