Resonant X-Ray Scattering from Chiral Materials: α-Quartz, α-Berlinite, and Tellurium
Resonant X-Ray Scattering from Chiral Materials: α-Quartz, α-Berlinite, and Tellurium
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手性材料的共振 X 射线散射：α-石英、α-Berlinite 和碲
DOI：
10.1088/1742-6596/519/1/012009
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
Manabu Takahashi and Jun-ichi Igarashi
中科院分区：
文献类型：
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作者：
Saburo Takahashi;他多数;Jun-ichi Igarashi and Tatsuya Nagao;Jun-ichi Igarashi and Tatsuya Nagao;Jun-ichi Igarashi and Tatsuya Nagao;Jun-ichi Igarashi and Tatsuya Nagao;Jun-ichi Igarashi and Tatsuya Nagao;Manabu Takahashi and Jun-ichi Igarashi
本文研究了手征材料α-石英、α-铍石和碲在Si K、Al K和Te L1边的共振X射线散射。对于禁止反射（001）和（00 bar 1），我们通过对局部散射矩阵求和来推导El El事件的散射矩阵。得到了光谱强度中与cos（3 <$δ）和sin（3 <$δ）成正比的振荡项，它们是方位角θ的函数，并给出了可能相移δ的表达式。我们根据α-石英和α-Berlinite的键轨道模型计算给出的潜在电子结构，以及使用基于局部密度近似的FLAPW能带结构计算来评估对称性参数中无法确定的参数。计算结果与实验结果吻合较好，且与光子偏振和晶体手性有关。指出有限的芯-空穴寿命和中间态的能带效应共同引起了相移δ。
We study the resonant x-ray scattering (RXS) at Si K, Al K and Te Ll-edges from chiral materials, α-quartz, α-berlinite, and tellurium. For the forbidden reflections (001) and (00 bar 1), we deduce the scattering matrix for the El El event by summing up the local scattering matrices. The oscillation terms proportional to cos (3Ψ δ) and sin (3Ψ δ) are obtained in the spectral intensity as a function of azimuthal angle Ψ with an expression of possible phase shift δ. We evaluate the parameters which cannot be determined in the symmetry argument on the basis of underlying electronic structures given by the bond-orbital model calculation for α-quartz and α-berlinite, and by using the FLAPW band structure calculation based on the local density approximation for tellurium. The calculated spectra reproduce well the experimental results which depend on photon polarization and crystal chirality. We point out that the finite core-hole life-time and the band effect in the intermediate states may cause together the phase shift δ.