Physical Review Letters · 1971 · 80 citations · 11 references
EngineeringNuclear PhysicsChemistryIon ProcessNeutral Halogen AtomReplacement SequenceIon EmissionMaterials ScienceSolid-state IonicCrystalline DefectsPhysicsCrystal MaterialAtomic PhysicsPoint-defect FormationPhysical ChemistryDefect FormationQuantum ChemistryCrystallographyNatural SciencesCondensed Matter PhysicsApplied PhysicsIon Structure
The energetics of point-defect formation in ionic crystals based on ${V}_{K}+e$ recombination has been investigated in detail. A sequence of [110] replacement collisions involving a neutral halogen atom is energetically possible and leads to the formation of well-separated $F$ and $H$ centers. Zero-point energy vibrational and librational amplitudes may lead to defocusing of the early collisions and to the creation of nearby $F$ and $H$ centers from which subsequently ${F}^{+}$ centers (vacancies) and $I$ centers (interstitial ions) can be formed. Direct formation of these charged centers by a replacement sequence is not possible.
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