晶体截断棒从错误切割的表面与交替的终止

Guangxu Ju, Dongwei Xu, C. Thompson, M. Highland, J. Eastman, W. Walkosz, P. Zapol, G. Stephenson
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引用次数: 2

摘要

一个长期存在的实验挑战是确定具有六边形紧密排列和相关结构的晶体基面上的{\ α}和\{β}梯田的方向。为了证明表面x射线散射如何对这种{\ α}和\{β}端点敏感,我们开发了一个关于两种端点组合的错切表面沿晶体截断棒(CTRs)的强度分布的一般理论。我们考虑了分数单位格高度的台阶,以及每个台阶以上梯田覆盖面积的变化。给出了GaN(0001)表面各种重构的计算实例。这些显示了哪个CTR位置对两个终端的分数覆盖最敏感。我们比较了精确定向表面的CTR曲线与具有小错切角的邻近表面的CTR曲线,并研究了在何种情况下,精确定向表面的CTR曲线等于错切表面的相应CTR家族的强度之和。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal truncation rods from miscut surfaces with alternating terminations
A long-standing experimental challenge has been to identify the orientation of the {\alpha} and \{beta} terraces on basal plane surfaces of crystals with hexagonal close-packed and related structures. To demonstrate how surface X-ray scattering can be sensitive to such {\alpha} vs. \{beta} terminations, we develop a general theory for the intensity distributions along crystal truncation rods (CTRs) for miscut surfaces with a combination of two terminations. We consider fractional-unit-cell-height steps, and variation of the coverages of the terraces above each step. Example calculations are presented for the GaN (0001) surface with various reconstructions. These show which CTR positions are most sensitive to the fractional coverage of the two terminations. We compare the CTR profiles for exactly oriented surfaces to those for vicinal surfaces having a small miscut angle, and investigate the circumstances under which the CTR profile for an exactly oriented surface is equal to the sum of the intensities of the corresponding family of CTRs for a miscut surface.
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