Abstract
The self-interstitial in germanium can assume multiple configurations depending on thetemperature and charge state. Here, we employ a first-principles density functionalmethod to investigate the diffusion mechanisms of this defect. The energy barriersassociated with the transformation between different structures are determined by theclimbing nudged elastic band method, as a function of the charge state. Therelation between the thermodynamic properties of the self-interstitial and thetemperature evolution of electron radiation damage in germanium are discussed.
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