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物理学报. 1991, 40(3): 459-468.
doi: 10.7498/aps.40.459.
应力对(GaP)1/(InP)1(111)超晶格体内和表面电子结构的影响
- 收稿日期: 1990-05-22
- 刊出日期: 2005-07-01
摘要: 考虑到应力对超薄层(GaP)1/(InP)1(111)结构中Ga-P和In-P键长的作用为均匀分布的情况,本文提出在紧束缚近似下,将应力的影响直接反映到Harrison的交迭积分项中,并利用Recursion方法全面计算了由Keating模型确定的稳定(GaP)1/(InP)1(111)超晶格体内和表面的电子结构,结果表明,这种材料的带隙为1.88eV,它比体材料GaP(2.91eV)和InP(1.48eV)的平均值小
English Abstract
EFFECT OF STRAIN ON THE BULK AND THE SURFACE ELECTRONIC STRUCTURES OF (GaP)1/(InP)1(111) SUPERLATTICE
- Received Date:
22 May 1990
- Published Online:
01 July 2005
Abstract: Under the tight-binding formalism, this paper suggests that effect of strain can be considered in terms of Harrison's interatomic matrix elements, taking acount of the homogeneous bond stretching and bond bending in ultrathin layer (GaP)1/(InP)1(lll) systems. Using recursion method, we have calculated the bulk and the surface electronic structures of the stable (GaP)1/(InP)1(lll) superlattice determined by the Keating model. Our result shows that its band gap is 1.88 eV, which is smaller by 0.31 eV than the average of the calculated gaps of bulk GaP(2.91 eV) and lnP(1.48 eV). As compared with the calculated auxiliary systems, we find that the band gaps of the superlattices become larger and the Fermi levels become lower with the increasing of the strain of the bond length. Furthermore, the obtained number of the occupied electrons on different sites clearly shows that InP is more ionic than GaP. Finally, we show the existence of an approxiamte SPz+Px-Py dehybrid on (111) surface of this strained-layer superlattice and point out that the contribution of S or P partial orbital of a (111) surface atom to this dehybrid is different from the case of a (001) surface atom of GaAs/AlAs (001) superlattice.
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