固体物理,考试,led,SolidStatePhysics-7讲解.ppt

§7.4.6 Approximate Solution Near a Zone Boundary We suppose that the Fourier components are small in comparison with the kinetic energy of a free electron at the zone boundary. We first consider a wavevector exactly at the zone boundary at , that is , at Here so that at the zone boundary the kinetic energy of the two component waves are equal. of the potential energy If is an important coefficient in the orbital 29 This result also follows from the discussion of 5 . We retain only those equations in the central equation that contain both coefficients and One equation of 31 becomes, with and 44 at the zone boundary, then is also an important coefficient. , and neglect all other coefficients. Another equation of 31 becomes These two equations have nontrivial solutions for the two coefficients if the energy satisfies whence, 47 46 45 The energy has two roots, one lower than the free electron kinetic energy by U, and one higher by U. Thus the potential energy has created an energy gap The ratio of the C’s may be found from either 44 or 45 : where the last step uses 47 . Thus the Fourier expansion of at the zone boundary has the two solutions at the zone boundary. 48 These orbitals are identical to 5 . One solution gives the wavefunction at the bottom of the energy gap; the other gives the wavefunction at the top of the gap. Which solution has the lower energy depends on the sign of U We use the same two component approximation, now with a wavefunction of the form 49 We now solve for orbitals with wavevector k near the zone boundary As directed by the central equation 31 , we solve the pair of equations with defined as These equations have a solution if the energy E satisfies whence . The energy has two roots: and each root describes an energy band, plotted in Fig.9. 50 It is convenient to expand the energy in terms of a quantity the mark over the is called a tilde , in wavevector between k and t