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Defect Formation Energies and Migration Energy Barriers in Cesium Halides

✍ Scribed by J. Arends

Publisher
John Wiley and Sons
Year
1967
Tongue
English
Weight
131 KB
Volume
24
Category
Article
ISSN
0370-1972

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πŸ“œ SIMILAR VOLUMES

Formation energy and migration barrier o
Formation energy and migration barrier of a Ge vacancy from ab initio studies
✍ H.M. Pinto; J. Coutinho; V.J.B. Torres; S. Γ–berg; P.R. Briddon πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 303 KB

Here we present local density functional calculations of the formation and migration energies of a vacancy in large Ge supercells and hydrogen-terminated Ge clusters. Migration barriers for neutral (V 0 ), negatively charged (V Γ€ ) and double negatively charged (V ΒΌ ) vacancies were calculated by us