《半导体材料和技术》chapter.pptVIP

Example 5. Wave equation of electron in a general periodic potential(电子在周期势场中的波动方程) The solution in a general periodic zone scheme. The free electron curve is drawn for comparison. Occupied states and band structures giving (a) an insulator, (b) a metal Band structure of (a) Si and (b) Ge Band structure of GaN and CuAlO2 Energy Band Theory The energy band structure of a solid can be constructed by solving the Schr?dinger equation for electrons in a crystalline solid which contains a large number of interacting electrons and atoms. Complexity: many-body problem -- motion of atomic nuclei -- many electrons Many method is used to solve many-body problem: Tight-binding approximation, The cellular (Wigner-Seitz) method, The augmented-plane wave (APW) method, ?rst-principles method, the density-functional theory (DFT), etc. From ψ(0)=0 Note: ejθ = cosθ + j sinθ with j2 = -1 The Schr?dinger equation in the region 0xa: The general solution is: ? ? Euler’s formula (欧拉公式) Substitute in ? Since no PE (potential energy = 0) ? ? The momentum px may be in the +x direction or the –x direction, so that the average momentum is actually zero, pav = 0. The solution is sin(ka) = 0 K and E are quantized. n is called a quantum number. For each n, there is a special wavefunction (called eigenfunction(本证函数)) n=1,2,3... From kn = nπ/a, eigenenergies(能量本征值)are: n=1,2,3... ka=nπ, where n=0,1,2,3,... an Integer (but n=0 is excluded) Boundary condition: ψ=0 at x=a: ψ (a) = 2 Aj sin ka = 0 ? Normalization condition: The total probability of finding the electron in the whole region 0 x a is unity (1). Carrying out the integration: The resulting wavefunction for the electron is thus The minimum energy corresponds to n=1. This is called the ground state. Electron in a one-dimensional infinite PE well. The energy of the electron is quantized. Possible wavefunctions and the probability distributions for the electron are shown. Example 3. Electron confined in three dimensions by a three dimensio