Particle in A One-dimensional Lattice - Problem Definition

Problem Definition

When talking about solid materials, the discussion is mainly around crystals - periodic lattices. Here we will discuss a 1D lattice of positive ions. Assuming the spacing between two ions is a, the potential in the lattice will look something like this:

The mathematical representation of the potential is a periodic function with a period a. According to Bloch's theorem, the wavefunction solution of the Schrödinger equation when the potential is periodic, can be written as:

Where u(x) is a periodic function which satisfies:

When nearing the edges of the lattice, there are problems with the boundary condition. Therefore, we can represent the ion lattice as a ring following the Born-von Karman boundary conditions. If L is the length of the lattice so that L >> a, then the number of ions in the lattice is so big, that when considering one ion, its surrounding is almost linear, and the wavefunction of the electron is unchanged. So now, instead of two boundary conditions we get one circular boundary condition:

If N is the number of Ions in the lattice, then we have the relation: aN = L. Replacing in the boundary condition and applying Bloch's theorem will result in a quantization for k:

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