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The European Physical Journal B
Article . 2018 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2018
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
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Electronic stopping and proton dynamics in InP, GaP, and In0.5Ga0.5P from first principles

Authors: Cheng-Wei Lee; André Schleife;

Electronic stopping and proton dynamics in InP, GaP, and In0.5Ga0.5P from first principles

Abstract

The phosphide-based III-V semiconductors InP, GaP, and In$_{0.5}$Ga$_{0.5}$P are promising materials for solar panels in outer space and radioisotope batteries, for which lifetime is a major issue. In order to understand high radiation tolerance of these materials and improve it further, it is necessary to describe the early stages of radiation damage on fast time and short length scales. In particular, the influence of atomic ordering, as observed e.g. in In$_{0.5}$Ga$_{0.5}$P, on electronic stopping is unknown.We use real-time time-dependent density functional theory and the adiabatic local density approximation to simulate electronic stopping of protons in InP, GaP, and the CuAu-I ordered phase of In$_{0.5}$Ga$_{0.5}$P across a large kinetic energy range.These results are compared to SRIM and we investigate the dependence on the channel of the projectile through the target.We show that stopping can be enhanced or reduced in In$_{0.5}$Ga$_{0.5}$P and explain this using the electron-density distribution. By comparing Ehrenfest and Born-Oppenheimer molecular dynamics, we illustrate the intricate dynamics of a proton on a channeling trajectory.

Keywords

Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
17
Top 10%
Average
Top 10%
Green
bronze