Energy Bands in Solids - Illinois State University - Department of 在固体的能带-伊利诺斯州立大学部.ppt

* plane waves of the form ψk(r) = exp(i k?r), which are running waves of momentum p = ?k So, these are particles which can have any k value What happens when we add a periodic lattice of lattice constant a? * There is an analogy between electron waves and lattice waves (phonons) ?For most values of k, the electrons move freely throughout the lattice (there is a group velocity that is non-zero = dω/dK) ?At the zone boundary (K = +/-π/a) , there are only standing waves (dω/dK = 0). ?What standing wave solutions are stable with these k-values? * * * Note: only electrons that have a wavelength commensurate with the lattice (k = π/a) are influenced by the periodic potential, and they form standing wave patterns One of these (+) has electrons near the positive cores, the other has the electrons in between the cores (so they have different energies). * This is the origin of the band gap. Suppose the potential energy of an electron in the crystal at point x is.. the gap is equal to the Fourier component of the crystal potential * The Bloch Theorem states: The eigenfunctions of the wave equation for a periodic potential are the product of a plane wave and a function with the periodicity of the lattice. Bloch functions can be assembled into packets to represent electrons propagating freely through the potential fied of the ion cores. * * * * The insertion of k via the Bloch theorem let’s us define the wavevector k as a means of labeling the solution. * These are the usual boundary conditions you had when you did the quantum mechanics of square well potentials. At x=a, with the use of the Bloch requirement for the wavefunction at a under the barrier in terms of the wavefunction at –b. Thus, we have four equations and four unknowns. The solution is found by requiring that the determinant of the coefficients of A through D equals zero. The mathematical process to get this is tedious, so we’ll avoid it. * * * P is sometimes referred to as the stopping po