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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、4 GPa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。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, 4 GPa. The energy and the density-of-states in the region close to the Fermi surface rise evidently as the pressure increase. The higher the pressure, the more the Fermi surface is distorted from the sphere characteristic of the free electron.
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Key words:
- orthogonalized plane wave /
- nearly free electron model /
- energy bands /
- density-of-states /
- Fermi energy
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Drickamer H G. Solid State Phys, 1965, 17: 91. Vaidge S N, Getting I C, Kennedy J. Phys Chem Solids, 1971, 32: 2545. Seitz F. Phys Rev, 1935, 47: 400. 李正中. 固体理论. 高等教育出版社, 1985: 245. 芶清泉. 固体物声学简明教程. 人民教育出版社, 1978: 22. Ham F S. Phys Rev, 1962, 128: 82. Callaway J. Phys Rev, 1961, 124: 1824. -
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