Heats of reaction in the solid state and their relationship to Bloch-Zunger structural diagrams
- 15 May 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 23 (10) , 5642-5644
- https://doi.org/10.1103/physrevb.23.5642
Abstract
We demonstrate that there is a simple relationship between the heats of solid-state reactions, ( from Groups I or II; from Groups VI and VII), and the positions of these compounds on Bloch-Zunger () structural sorting diagrams. The predictions of the model for these heats of reaction are far superior to those from a model based on the principal valence quantum numbers of the atoms involved.
Keywords
This publication has 8 references indexed in Scilit:
- Systematization of the stable crystal structure of all-type binary compounds: A pseudopotential orbital-radii approachPhysical Review B, 1980
- Structural Stability of Transition-Metal Binary CompoundsPhysical Review Letters, 1980
- Structural Stability of 495 Binary CompoundsPhysical Review Letters, 1980
- Quantum-defect theory of heats of formation and structural transition energies of liquid and solid simple metal alloys and compoundsPhysical Review B, 1978
- Quantum-Defect Electronegativity Scale for Nontransition ElementsPhysical Review Letters, 1974
- Spectroscopic Analysis of Cohesive Energies and Heats of Formation of Tetrahedrally Coordinated SemiconductorsPhysical Review B, 1970
- Hard and soft acids and bases, HSAB, part 1: Fundamental principlesJournal of Chemical Education, 1968
- Hard and Soft Acids and BasesJournal of the American Chemical Society, 1963