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

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

2008-01-22

arxiv.org/abs/0801.3381v1

Physics

Condensed Matter

Materials Science

submitted to J. Phys.: Condens. Matter

Scientific paper

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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