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    • 33. 发明授权
    • System for simulating properties of a material having periodically
repeated structure
    • 用于模拟具有周期性重复结构的材料的性质的系统
    • US5694343A
    • 1997-12-02
    • US151750
    • 1993-11-15
    • Hideharu Nobutoki
    • Hideharu Nobutoki
    • H01L39/00G06F17/50H01L29/00G06G7/48
    • G06F17/5018Y10S706/919Y10S706/92
    • A design system is 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 design system 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## such that energy bands are in one-to-one relation with each wave number vector.
    • 提供了一种设计系统,用于模拟和分析诸如半导体或超导体的周期性结构材料的性质,以开发出新颖的周期性结构材料。 在本发明的设计系统中,布里渊区域中两个相邻波数矢量kA和kB之间的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被对角化以找到特征值,γp和特征向量Unp,那么可以从一个一对一关系的伽马p和Unp布洛赫函数中找到两个 相邻波数向量,kA和kB:e与每个波数向量的关系。