表面态理论中的Green函数方法 |
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引用本文: | 张涛. 表面态理论中的Green函数方法[J]. 河南师范大学学报(自然科学版), 1981, 0(3) |
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作者姓名: | 张涛 |
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摘 要: | <正> 在表面电子态量子理论中,通常行之有效的是紧束缚模型和线性组合原子轨道(TB-LCAO)方法。在TB-LCAO方法中,选取某个能级的原子轨道波函数作为一组基,把晶体的单电子波函数用这组基展开。引进晶体体内和表面原子的Coulomb积分和共振积分,将Schrodinger方程化为差分方程的形式。
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The Green Function Method in Suriace State Theory |
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Abstract: | The Green function method in surface state theory is outlined in this article first, and then is applied to calculated the surfase electronic states of a three dimensional semi-infinite crystal lattice。The result is compared with the result obtained by Grimley by means of TB-LCAO method and difference equation。We apply the Green function method to the surface electronic states when a two-side surface potential is considered。The re- sult gives two degenerate surface states localized on two surfaces correspon- dingly。 |
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