Rare earth interstitial-complexes in Ge : hybrid density functional studies

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Authors

Igumbor, Emmanuel
Omotoso, Ezekiel
Danga, Helga Tariro
Tunhuma, Shandirai Malven
Meyer, Walter Ernst

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Elsevier

Abstract

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Keywords

Defects, Ions, Germanium (Ge), Ab initio, Projector-augmented wave (PAW) method, Rare earth (RE), Charge state, Formation energy, Density functional theory (DFT)

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Citation

Igumbor, E., Omotoso, E., Danga, H.T., Tunhuma, S.M. & Meyer, W.E. 2017, 'Rare earth interstitial-complexes in Ge : hybrid density functional studies', Nuclear Instruments and Methods in Physics Research Section B : Beam Interactions with Materials and Atoms, vol. 409, pp. 9-13.