计算表明,陈氏三维晶格反演比CGE方法具有更快的收敛性,容易获得较高精度的原子间相互作用势。
The calculated results indicate that Chen's lattice inversion method was exact for radial interatomic potential of alkali metals with much faster convergence than CGE method.
晶格常数和原子间力常数的改变影响了相邻电子轨道的重合程度,引发电子能级和光学性质的变化。
Reductions of lattice spacing and force constants between atoms induce modifications in the band structures of solids and thus in electronic properties and optical properties.
在表面原子扩散的过程中,由吸附原子与基体原子间相互作用引起的基体晶格畸变对表面原子的扩散运动将产生重要影响。
In the process of adatom diffusion, the deformation induced by the interaction of adatom and substrate plays an important role in the adatom's migration.
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