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Modelling the effects of electronic excitations in ionic-covalent materials

Duffy, DM; Daraszewicz, SL; Mulroue, J; (2012) Modelling the effects of electronic excitations in ionic-covalent materials. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms , 277 21 - 27. 10.1016/j.nimb.2011.12.059. Green open access

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Abstract

High energy radiation events in ionic and covalent materials can lead to highly excited electronic configurations which, over time, relax to the ground state, either radiatively by emitting photons, or non-radiatively. Non-radiative relaxation involves the transfer of energy to the lattice and this can result in lattice heating, defect formation or even phase changes. The effects of the relaxation mechanisms on the atomic configuration are challenging to model accurately by standard methods. The situation is further complicated by interactions between electronic excitations and pre-existing defects, possibly created by other radiation events. In this paper we describe a range of mechanisms by which the electronic energy is transferred to the lattice and the resulting effects on the atomic configuration, along with the different techniques that are used to model these effects.

Type: Article
Title: Modelling the effects of electronic excitations in ionic-covalent materials
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.nimb.2011.12.059
Publisher version: http://dx.doi.org/10.1016/j.nimb.2011.12.059
Language: English
Additional information: This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/1353381
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