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本文使用紧束缚法研究了GaAs-GaP超晶格的能带结构和电子的有关性质.久期方程的矩阵元中包括了一直到次近邻的原子轨道间的相互作用积分.本文计算了超晶格(GaAs)1-(GaP)_1布里渊区中三条主要对称线上的能带;计算了超晶格(GaAs)m-(GaP)n在Γ点、X点和M点的能带值,这里m+n≤10;讨论了m=n时禁带宽度随周期长度的变化、周期长度不变时组分变化对禁带宽度的影响以及在几个典型的单电子状态中电子处于各个原子上的几率.
In this paper, we study the band structure and electronic properties of the GaAs-GaP superlattice using the tight binding method. The matrix elements of the secular equation include the integral of the interaction between atomic orbits up to the nearest neighbors. The energies of the three main symmetry lines in the GaAs 1- (GaP) _1 Brillouin zone are calculated. The energy bands of GaAs m- (GaP) n at the Γ point, the X point and the M point are calculated. , Where m + n≤10; the influence of the variation of the forbidden band width with the length of the period when m = n is discussed, the influence of the composition variation on the forbidden band width when the length of the period is constant, and the electron at several typical single electron states The probability of each atom.