Molecular dynamics simulations of the response of pre-damaged SrTiO3 and KTaO3 to fast heavy ions

Eva Zarkadoula,William J Weber,Yanwen Zhang

doi:10.1063/1.5133061

Eva Zarkadoula, William J Weber + Show 1 more

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https://doi.org/10.1063/1.5133061

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Abstract

We investigate the energy dissipation and track formation due to ion irradiation in SrTiO3 and KTaO3. We use molecular dynamics simulations combined with the inelastic thermal spike model to simulate 21 MeV Ni ion irradiation in pristine and predamaged samples. The results are validated against experimental findings, showing that the level of initial disorder affects the electron-phonon interactions and the energy dissipation and deposition to the atoms. It is predicted that the ion track size increases linearly for low disorder levels, while its size saturates for high levels of disorder.

Highlights

Ion irradiation can cause unwanted damage, for instance, in nuclear applications or space devices, but it is a very useful tool in material modification and material design
We investigate the variation of electron-phonon coupling on energy dissipation in model oxides with increasing pre-existing disorder, energy deposition to the lattice, and the microstructural response of SrTiO3 and KTaO3 to the dissipation of electronic energy loss (Se) from 21 MeV
We investigate the effects of ion irradiation, as ion beam modification is used to add and control functionality in materials

Summary

Introduction

Ion irradiation can cause unwanted damage, for instance, in nuclear applications or space devices, but it is a very useful tool in material modification and material design. We investigate the variation of electron-phonon coupling on energy dissipation in model oxides with increasing pre-existing disorder, energy deposition to the lattice, and the microstructural response of SrTiO3 and KTaO3 to the dissipation of electronic energy loss (Se) from 21 MeV

Results

Conclusion