半导体表面HREELS表面偶极子选择规则的有效性:Si(001)-(2×1)H/D

EPL (Europhysics Letters) Pub Date : 2012-06-01 DOI:10.1209/0295-5075/98/66001

C. H. Patterson

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引用次数: 2

摘要

用第一性原理法计算了Si(001)-(2×1)H和D表面的HREELS偶极散射截面表面损失函数。这些被充分研究过的系统的实验光谱只有在包括诱导平行于表面的偏振模式的贡献时才能得到解释。这种表面偶极子选择规则的松弛强调了半导体表面振动谱强度第一性原理计算的重要性。

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Validity of the HREELS surface dipole selection rule at semiconductor surfaces: Si(001)-(2×1)H/D

The surface loss function in the HREELS dipole scattering cross-section is calculated for Si(001)-(2×1)H and D surfaces using first-principles methods. Experimental spectra of these well-studied systems can only be explained if contributions from modes which induce polarization parallel to the surface are included. This relaxation of the surface dipole selection rule underlines the importance of first-principles calculations of vibrational spectral intensities at semiconductor surfaces.

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EPL (Europhysics Letters)

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