SIZE DEPENDENCE OF BAND-GAPS IN SILICON NANOSTRUCTURES
SIZE DEPENDENCE OF BAND-GAPS IN SILICON NANOSTRUCTURES
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DOI：
10.1063/1.114348
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发表时间：
1995-10-16
影响因子：
4
通讯作者：
STEIGMEIER, EF
中科院分区：
文献类型：
--
作者：
DELLEY, B;STEIGMEIER, EF
用全电子密度泛函理论计算了氢饱和硅团簇、硅线和硅板的能带隙随尺寸的变化关系。氢饱和被认为是一个更宽的带隙绝缘体包围的硅结构的模型。考虑到这一点，一个有效的质量模型与有限的势垒的价带和导带被发现半量子帐户的数值结果。(C)1995年美国物理学会。
The size dependence of the energy band gap for hydrogen saturated silicon clusters, wires and slabs are calculated using all electron density functional theory. The hydrogen saturation is considered as a model for a wider band gap insulator enclosing the silicon structures. With this perspective in mind, an effective mass model with finite barriers for both valence and conduction band is found to semiquantatively account for the numerical findings. (C) 1995 American Institute of Physics.