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    • 27. 发明授权
    • Method for simulating properties of material having periodically
repeated structure and systems utilizing the same
    • 用于模拟具有周期性重复结构的材料的性质的方法和利用其的系统
    • US5844820A
    • 1998-12-01
    • US786790
    • 1997-01-21
    • Hideharu Nobutoki
    • Hideharu Nobutoki
    • H01L39/00G06F17/50H01L29/00G06G7/48
    • G06F17/5018Y10S706/919Y10S706/92
    • A simulation method and design systems are provided for simulating and analyzing the properties of a periodically structured material such as a semiconductor or a superconductor to develop a novel periodically structured material. In the simulation method of the present invention, an overlap integral between Bloch functions, .psi..sub.m (k.sub.A) and .psi..sub.i (k.sub.B), for two adjacent wave number vectors, k.sub.A and k.sub.B, in Brillouin zone is found as S.sub.im = whereby a matching degree in terms of symmetrical nature of the Bloch functions, .psi..sub.m (k.sub.A) and .psi..sub.i (k.sub.B), can be quantitatively estimated. Accordingly, if the band array operation matrix, ##EQU1## is diagonalized to find an eigenvalue, .gamma..sub.p and an eigenvector, U.sub.np, then there can be found from .gamma..sub.p and U.sub.np the Bloch functions in a one-to-one relation with two adjacent wave number vectors, k.sub.A and k.sub.B : ##EQU2## and energy bands in one-to-one relation with each wave number vector.
    • 提供了一种模拟方法和设计系统,用于模拟和分析周期性结构材料(例如半导体或超导体)的性质,以开发出新颖的周期性结构材料。 在本发明的模拟方法中,布里渊区域中两个相邻波数矢量kA和kB的Bloch函数,psi m(kA)和psi i(kB)之间的重叠积分被找到为Sim = (kB)| psi m(kA)>,从而可以定量地估计布洛赫函数的对称性质psi m(kA)和psi i(kB)的匹配度。 因此,如果带阵列运算矩阵,γp和特征向量Unp,则可以从两个相邻波数向量kA和kB以一对一关系的γp和Unp布洛赫函数中找到: 和每个波数向量一对一关系的能带。