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单词 Tight binding
释义

Tight binding

中文百科

紧束缚近似

紧束缚近似是将在一个原子附近的电子看作受该原子势场的作用为主,其他原子势场的作用看作微扰,从而可以得到电子的原子能级和晶体中能带之间的相互关系。在此近似中,能带的电子波函数可以写成布洛赫波函数之和的形式:\psi^i_k = {1\over\sqrt{N}} \sum_n e^{i k \cdot \boldsymbol R_n}  \psi_i \left( \boldsymbol r - \boldsymbol R_n \right) = {1\over\sqrt{N}} \sum_n e^{i k \cdot \boldsymbol R_n} \boldsymbol W_n \left( \boldsymbol r - \boldsymbol R_n \right)

其中\boldsymbol W_n \left( \boldsymbol r - \boldsymbol R_n \right)被称为瓦尼尔函数。 和近自由电子近似不同,紧束缚模型适用范围大得多。

英语百科

Tight binding 紧束缚近似

In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method (linear combination of atomic orbitals method) used in chemistry. Tight-binding models are applied to a wide variety of solids. The model gives good qualitative results in many cases and can be combined with other models that give better results where the tight-binding model fails. Though the tight-binding model is a one-electron model, the model also provides a basis for more advanced calculations like the calculation of surface states and application to various kinds of many-body problem and quasiparticle calculations.

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更新时间:2025/6/19 6:53:53