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首页> 外文期刊>Philosophical magazine, B. Physics of condensed matter, electronic, optical, and magnetic properties >Structural change induced on an atomic scale by equilibrium sulphur segregation in tilt germanium grain boundaries
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Structural change induced on an atomic scale by equilibrium sulphur segregation in tilt germanium grain boundaries

机译：倾斜的锗晶界中的平衡硫偏析在原子尺度上引起的结构变化

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In the present study, structural modifications induced by equilibrium sulphur segregation in pure tilt germanium {710}< 001 >, Sigma = 25 (theta = 16.26 degrees) and {551}< 011 >, Sigma = 51 (theta = 16.10 degrees) grain boundaries (GBs) were investigated using high-resolution electron microscopy coupled to electron-energy-loss spectroscopy and supported by structural modelling and image simulations. Our results showed that the as-grown Sigma = 25 GB is composed of two parts: a stable structural region and a variable perturbed core. On the basis of our simulations, it is shown that this boundary can only be formed by a multiplicity of configurations which are energetically close to each other but differently configured along the boundary plane. When sulphurized, drastic changes in the structure of the GB were observed. Energy-filtered electron microscopy imaging revealed a sulphur enrichment at the perturbed part of the boundary. Although sulphur segregation at the boundary is detected, no information can at the present stage be extracted on segregation sites and bonding configurations because of the complexity of the boundary structure. To simplify this aspect, a simpler GB, that is germanium Sigma = 51, was studied. The structure of such a GB is a well-known configuration, that is a Lomer dislocation, which is basically a fivefold ring adjacent to a sevenfold ring. After sulphur treatment, high-resolution electron microscopy imaging also shows significant contrast modifications apparently concentrated on the dislocation core. Chemical imaging indicates again the presence of sulphur enrichment along the boundary plane strongly sustaining that equilibrium sulphur segregation in the Ge(S) system occurs into the GB and therefore confirms our previous results on the Sigma = 25 GB. One can therefore argue that it is the presence of those odd-membered rings at the boundary, which should possess a specific crystallographic and electronic nature, coupled to the electronic properties of sulphur, that are responsible for the preferential segregation into the boundary. [References: 22]
机译：在本研究中，在纯倾斜锗{710} <001>，Sigma = 25（θ= 16.26度）和{551} <011>，Sigma = 51（θ= 16.10度）晶粒中，由平衡硫偏析引起的结构改性边界（GBs）使用高分辨率电子显微镜和电子能量损失谱仪进行了研究，并得到了结构建模和图像模拟的支持。我们的结果表明，成长的Sigma = 25 GB由两部分组成：稳定的结构区域和可变的扰动核心。根据我们的模拟，表明该边界只能由在能量上彼此靠近但沿边界平面不同配置的多个配置形成。当硫化时，观察到GB结构的急剧变化。能量过滤电子显微镜成像显示在边界的扰动部分富集了硫。尽管检测到边界处的硫偏析，但由于边界结构的复杂性，目前无法在偏析部位和键合构型上提取任何信息。为了简化此方面，研究了更简单的GB，即Sigma = 51。这种GB的结构是众所周知的构型，即Lomer位错，其基本上是与七重环相邻的五重环。经过硫处理后，高分辨率电子显微镜成像还显示出明显的对比度改变，这些改变显然集中在位错核心上。化学成像再次表明，沿边界平面存在硫富集，强烈维持了Ge（S）系统中的平衡硫偏析发生在GB中，因此证实了我们先前关于Sigma = 25 GB的结果。因此，可以认为是在边界处存在那些奇数环，它们具有特定的晶体学和电子性质，再加上硫的电子性质，才导致优先偏析进入边界。 [参考：22]

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