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Quantum Monte Carlo study of silicon self-interstitial defects

WK Leung, RJ Needs, G Rajagopal, S Itoh, S Ihara

OAI: oai:www.repository.cam.ac.uk:1810/267517 • DOI: 10.17863/CAM.13456

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Abstract

self-interstitials silicon diffusion quantum Monte Carlo self-diffusion density functional theory WAVE-FUNCTIONS 1ST-PRINCIPLES CALCULATIONS Diffusion SYSTEMS FERMION solids Energy state