Abstract
Now turning to Equation (2.27) concerning the electrons: where the first term represents the kinetic energy, the second the mutual Coulombic repulsion between the electrons, and the last the potential energy in the electric field from the ions which, to a first approximation, is given by Equation (2.22) with r Ib 0 , the equilibrium position of the nucleus, instead of rIb . Part of the nuclear charge, Z b , is screened off by the deeper lying core electrons. The periodicity of the crystal allows us, in analogy with the previous chapter, to write
$$\{ \sum\limits_i {\frac{{P_i^2}}{{2{m_o}}}} + \sum\limits_{i,j} {\frac{{{e^2}}}{{4\pi {e_0}{\text{|}}{{\text{r}}_{\text{i}}}{\text{ - }}{{\text{r}}_{\text{j}}}{\text{|}}}}} + {U_e}({r_i})\} {\psi _e} = {E_e}{\psi _e}$$
(3.1)
$${U_e}({r_i}) = \sum\limits_{I,b} {{U_{e,Ib}}({r_i} - r_{Ib}^0)} $$
(3.2)
Keywords
Wave Function Conduction Band Valence Band Fermi Level Band Structure
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
Preview
Unable to display preview. Download preview PDF.
Copyright information
© C. Moglestue 1993