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首页> 外文期刊>Physica status solidi, B. Basic research >Composition dependent energy band gaps for the ternary alloy Si1-x-yGexCy
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Composition dependent energy band gaps for the ternary alloy Si1-x-yGexCy

机译:三元合金Si1-x-yGexCy的成分依赖能带隙

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The universal tight binding method based on sp(3)s* basis functions is used to calculate the electronic structure of the ternary alloy Si1-x-yGexCy. The dependences of the fundamental band gaps (E(Gamma), E(Delta), E(L), and E(X)) are obtained and investigated for small concentrations of carbon (0 less than or equal to y less than or equal to 0.05). It is found that the presence of carbon in the alloy Si1-x-yGexCy results in a very significant change (i.e., reduction) of the alloy bond length with a small change of the energy band gaps. The energy band gap increases upon adding carbon to the strained alloy. However, the energy band gap decreases upon adding carbon while keeping the alloy lattice matched to the substrate Si. The calculated band gaps are in good agreement with the limited available experimental data and ab initio results. [References: 16]
机译:基于sp(3)s *基函数的通用紧密结合方法用于计算三元合金Si1-x-yGexCy的电子结构。对于低浓度的碳(0小于或等于y小于或等于y),获得并研究了基带隙的依赖性(E(Gamma),E(Delta),E(L)和E(X))。至0.05)。发现在Si1-x-yGexCy合金中碳的存在导致合金键长的变化非常显着(即,减少),而能带隙的变化很小。当将碳添加到应变合金中时,能带隙增加。然而,在添加碳的同时,能带隙减小,同时保持合金晶格与衬底Si匹配。计算出的带隙与有限的可用实验数据和从头算结果高度吻合。 [参考:16]

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