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arXiv 0801.3381cond-mat.mtrl-sci
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钙钛矿中掠射快重离子径迹电子阻止本领的从头计算

Ab-initio calculation of electronic stopping power along glancing swift heavy ion tracks in perovskites

O. Osmani, A. Duvenbeck, E. Akcoeltekin, R. Meyer, H. Lebius, M. Schleberger

摘要:

在最近的实验中,在掠射入射下用快速重离子照射钙钛矿型绝缘体已被证明提供了一种独特的方法来在表面产生周期性排列的纳米点。这些图案的物理起源已被认为是源于本体内的高度各向异性的电子密度分布。为了显示目标的电子密度分布的相关性,我们提出了一个模型计算的系统的半导体$^{+23}$ $\to$ SrTiO $_{3}$是已知的产生上述表面改性。在Lindhard电子阻止模型的基础上,我们采用高分辨的\emph{ab-initio}电子密度数据来描述动能沿离子径迹向激发能的转化。初级粒子动力学是通过积分牛顿运动方程得到的,该运动方程由源于林哈德停止的空间和时间相关的摩擦力控制。沿离子轨道的局部电子阻止本领的分析揭示了一个明显的周期性结构。周期性长度强烈变化的特定选择的极角的入射,并直接相关的实验观察到的周期性纳米点在绝缘体表面的形成。

英文摘要:

In recent experiments the irradiation of insulators of perovskite type with swift heavy ions under glancing incidence has been shown to provide a unique means to generate periodically arranged nanodots at the surface. The physical origin of these patterns has been suggested to stem from a highly anisotropic electron density distribution within the bulk. In order to show the relevance of the electron density distribution of the target we present a model calculation for the system Xe$^{+23}$ $\to$ SrTiO$_{3}$ that is known to produce the aforementioned surface modifications. On the basis of the Lindhard model of electronic stopping, we employ highly-resolved \emph{ab-initio} electron density data to describe the conversion of kinetic energy into excitation energy along the ion track. The primary particle dynamics are obtained via integration of the Newtonian equations of motion that are governed by a space- and time-dependent friction force originating from Lindhard stopping. The analysis of the local electronic stopping power along the ion track reveals a pronounced periodic structure. The periodicity length strongly varies with the particular choice of the polar angle of incidence and is directly correlated to the experimentally observed formation of periodic nanodots at insulator surfaces.

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