标题: 以第一原理计算分析砷化镓与磷化铟 红外线双声子特征谱线之研究
Analysis of two-phonon infrared spectral features of gallium arsenide and indium phosphide by ab initio calculation
作者: 林煌翔
Lin, Huang-Hsiang
颜顺通
Yen, Shun-Tung
电子工程学系 电子研究所
关键字: 双声子过程;能态密度;砷化镓;磷化铟;远红外线;泛范霍夫奇异点;two-phonon processes;density of states;gallium arsenide;indium phosphide;far infrared;van Hove singularity
公开日期: 2014
摘要: 我们使用密度泛函微扰理论(Density functional perturbation theory) 作自洽计算来分析双声子过程(two-phonon process) 对于砷化镓以及磷化铟在红外线特频谱的贡献,这些特征谱线可以藉由连结实验特征峰值与双声子联合能态密度(two-phonon joint density of states) 中的范霍夫奇异点(van Hove singularity) 来完成标记,而我们也分析了在第一布里渊区(first Brillouin zone) 中的相关临界点(critical points)。我们发现砷化镓以及磷化铟所有的临界点都只会分布在对称点Γ, X, L, W ; 对称轴Σ, Λ, Δ, Q, S; 或是对称面ΓKL, ΓXWK, ΓXUL。
We perform a self-consistent calculation based on the density functional perturbation theory to analyze the infrared spectral features of GaAs and InP contributed by two-phonon processes. Assignment of the features is made by connecting the experimental spectral peaks to the calculated
Van Hove singularities of two-phonon joint density of states. The associated critical points in the first Brillouin zone are analyzed. We find that most critical points of GaAs and
InP are located at symmetry points of Γ, X, L and W, symmetry lines of Σ, Λ, Δ, Q, and S, or symmetry faces of ΓKL, ΓXWK and ΓXUL.
URI: http://140.113.39.130/cdrfb3/record/nctu/#GT070150105
http://hdl.handle.net/11536/76393
显示于类别:Thesis


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