Publication | Closed Access
Quantum-Defect Electronegativity Scale for Nontransition Elements
251
Citations
13
References
1974
Year
Crystal StructureEngineeringComputational ChemistryDefect ToleranceElectronic StructureNew Electronegativity ScaleQuantum MaterialsBinary CompoundsQuantum-defect Electronegativity ScaleQuantum SciencePhysicsAtomic PhysicsDefect FormationExplicit Orbital ComponentsCrystallographyCrystal Structure DesignSolid-state PhysicAb-initio MethodApplied PhysicsCondensed Matter Physics
We suggest that the Pauli-force model potential defines a new electronegativity scale consisting of explicit orbital components. These are determined algebraically from atomic spectral data. We find that these components distinguish quantitatively the most stable crystal structures of 34 nontransition elemental solids and $59{A}^{N}{B}^{8\ensuremath{-}N}$ binary compounds.
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