【摘要】 本文采用正交化平面波方法和近自由电子模型计算了金属锂在压强分别为0、2、4GPa时的能带、电子状态密度和费米能,讨论了压强对金属锂的电子结构的影响。更多还原

【Abstract】 This paper has evaluated the energy bands using the orthogonalized plane wave method and has calculated the density-of-states as well as the Fermi energy by the nearly free electron model for metal lithium at pressures of 0, 2. 4GPa. The energy and the density-of-states in the region close to the Fermi surface rise evidently as the pressure increases. The higher the pressure, the more the Fermi surface is distorted from the sphere characteristic of the free electron.更多还原