纳米晶体颗粒电子态的紧束搏计算

在紧束缚近似下，计及最近邻的矩阵元，并忽略自洽势的畸变，用格林函数方法的简立方的纳米晶体颗粒的电子态结构和电子态密度，计算结果表明，虽然各态的电子态密度随格点位置变化而变化，但在任意温度情形下，各格点处的电子密度是相同的。纳米晶体颗粒电子的化学势等于格原子能有。

A Tight-binding Calculation of Electron States of Nano Crystal Particles

The structure and density of electron state in nano simple cubic crystal particles are calculated taking the most adjacent matrix elements into account by means of Green's function method with the tight-binding approximation.It is shown that the electron density of each lattice point is the same although the electron state density varies with the lattice point.And the chemical potential is equal to the atomic energy level as well.