Résumé
Surface states are electronic states found at the surface of materials. They are formed due to the sharp transition from solid material that ends with a surface and are found only at the atom layers closest to the surface. The termination of a material with a surface leads to a change of the electronic band structure from the bulk material to the vacuum. In the weakened potential at the surface, new electronic states can be formed, so called surface states. As stated by Bloch's theorem, eigenstates of the single-electron Schrödinger equation with a perfectly periodic potential, a crystal, are Bloch waves Here is a function with the same periodicity as the crystal, n is the band index and k is the wave number. The allowed wave numbers for a given potential are found by applying the usual Born–von Karman cyclic boundary conditions. The termination of a crystal, i.e. the formation of a surface, obviously causes deviation from perfect periodicity. Consequently, if the cyclic boundary conditions are abandoned in the direction normal to the surface the behavior of electrons will deviate from the behavior in the bulk and some modifications of the electronic structure has to be expected. A simplified model of the crystal potential in one dimension can be sketched as shown in Figure 1. In the crystal, the potential has the periodicity, a, of the lattice while close to the surface it has to somehow attain the value of the vacuum level. The step potential (solid line) shown in Figure 1 is an oversimplification which is mostly convenient for simple model calculations. At a real surface the potential is influenced by image charges and the formation of surface dipoles and it rather looks as indicated by the dashed line. Given the potential in Figure 1, it can be shown that the one-dimensional single-electron Schrödinger equation gives two qualitatively different types of solutions. The first type of states (see figure 2) extends into the crystal and has Bloch character there.
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