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固体能带计算方法
释义
固体能带计算方法
Encyclopedia
工学
材料的能带工程
释
methods of calculation of energy bands in solids
固体能带计算方法
由于材料的能带结构不能完全由实验测量得到,因此,自20世纪30年代以来,固体能带计算一直是固体物理学和材料科学中一个重要的基础性课题。1933年E.维格纳(Wigner)和F.塞茨(Seitz)在研究碱金属时提出的元胞法,是历史上第一个定量计算能带的方法。随后又发展了平面波法、正交化平面波法、赝势法、紧束缚法、缀加平面波法和KKR法等。
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