Particle in a one-dimensional lattice (periodic potential)
In quantum mechanics, the particle in a one-dimensional lattice is a problem that occurs in the model of a periodic crystal lattice. The potential is caused by ions in the periodic structure of the crystal creating an electromagnetic field so electrons are subject to a regular potential inside the lattice. This is an extension of the free electron model that assumes zero potential inside the lattice.
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 u(x + a) = u(x). It is the Bloch factor with Floquet exponent which gives rise to the band structure of the energy spectrum of the Schrödinger equation with a periodic potential like the Kronig-Penney potential or a cosine function as in the Mathieu equation.
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:
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