Problem 11.1 from Ashcroft and Mermin's textbook

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SUMMARY

The discussion centers on Problem 11.1 from Ashcroft and Mermin's textbook, focusing on the continuity equations for the wave function ##\psi(\vec{r})## within a primitive cell. Key points include verifying the separation of points by Bravais lattice vectors and demonstrating that the Bloch form of ##\psi## satisfies the continuity conditions. The equations (11.37) and (11.38) establish the relationship between the wave function values at points separated by lattice vectors, while equation (11.39) introduces additional information regarding the normal vector ##\hat{n}## at the cell's surface.

PREREQUISITES
  • Understanding of quantum mechanics, specifically wave functions and Bloch's theorem.
  • Familiarity with lattice structures and Bravais lattice vectors.
  • Knowledge of vector calculus, particularly gradient operations.
  • Basic concepts of solid-state physics as presented in Ashcroft and Mermin's textbook.
NEXT STEPS
  • Study the implications of Bloch's theorem in solid-state physics.
  • Explore the mathematical derivation of continuity equations in quantum mechanics.
  • Investigate the role of Bravais lattice vectors in crystal structures.
  • Learn about the physical significance of normal vectors in boundary conditions.
USEFUL FOR

Students of quantum mechanics, solid-state physicists, and anyone tackling advanced topics in wave functions and crystal lattice theory will benefit from this discussion.

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Homework Statement


Let ##\vec{r}## locate a point just within the boundary of a primitive cell ##C_0## and ##\vec{r}'## another point infinitesimally displaced from ##\vec{r}## just outside the same boundary. The continuity equations for ##\psi(\vec{r})## are:
$$ (11.37) \lim_{r\to r'} [\psi(\vec{r})-\psi(\vec{r}')]=0$$
$$\lim_{r\to r'} [\nabla \psi(\vec{r})-\nabla \psi(\vec{r}')]=0$$

(a) Verify that any point ##\vec{r}## on the surface of a primitive cell is separated by some Bravais lattice vector ##\vec{R}## from another surface point and that the normals to the cell at ##\vec{r}## and ##\vec{r}+\vec{R}## are oppositely directed.
(b) Using the fact that ##\psi## can be chosen to have the Bloch form, show that the continuity conditions can equally well be written in terms of the values of ##\psi## entirely withing a primitive cell:
$$(11.38) \psi(\vec{r}) = e^{-i\vec{k}\cdot\vec{r}}\psi(\vec{r}+\vec{R})$$
$$\nabla \psi(\vec{r})= e^{-i\vec{k}\cdot \vec{R}}\nabla \psi(\vec{r}+\vec{R})$$
for pairs of points on the surface separated by direct lattice vectors ##\vec{R}##.
(c) Show that the only information in the second of equations (11.38) not already contained in the first is in the equation:
$$(11.39)\hat{n}(\vec{r})\cdot \nabla \psi(\vec{r})=-e^{-i\vec{k}\cdot \vec{R}}\hat{n}(\vec{r}+\vec{R})\cdot \nabla \psi(\vec{r}+\vec{R}),$$
where the vector ##\hat{n}## is normal to the surface of the cell.

Homework Equations

The Attempt at a Solution


I am quite overwhelmed by this question, and am not sure where to start.

I would appreciate some guidance as to how to solve this problem.

Thanks.
 
Last edited:
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I thought for assignment (b), that the Bloch condition is: ##\psi(r+R)=e^{ik\cdot R}\psi(r)## , for which we get the first idnetity of (11.38) (just multiply by the reciprocal of the exponent), but I don't see how is it related to the first continuity condition in (11.37).
 
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