The bond-valence rule's exponential form is the leading-order limit of screened Coulomb interactions, with softness as screening length, matching 150 fitted valences (R²=0.986) and first-principles charge densities.
Adams, Relationship between bond valence and bond softness of alkali halides and chalcogenides, Acta Crys- tallographica Section B57, 278 (2001)
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Averaged covalent and ionic bond strengths correlate with and can estimate oxygen vacancy migration barriers across rutile 3d transition-metal dioxides after fitting two parameters to DFT data.
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Yukawa screening derivation of the bond-valence rule
The bond-valence rule's exponential form is the leading-order limit of screened Coulomb interactions, with softness as screening length, matching 150 fitted valences (R²=0.986) and first-principles charge densities.
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Bond-Strength-Based Understanding of Oxygen Vacancy Migration Barriers in Rutile Oxides
Averaged covalent and ionic bond strengths correlate with and can estimate oxygen vacancy migration barriers across rutile 3d transition-metal dioxides after fitting two parameters to DFT data.