Ab initio calculation of interatomic force constants in H6Si2O7 and the bulk modulus of ? quartz and ? cristobalite
- 1 December 1980
- journal article
- Published by Springer Nature in Physics and Chemistry of Minerals
- Vol. 6 (4) , 305-312
- https://doi.org/10.1007/bf00307620
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Ab initio calculated geometries and charge distributions for H4SiO4 and H6Si2O7 compared with experimental values for silicates and siloxanesPhysics and Chemistry of Minerals, 1980
- How some simple solids hold together. The use of the fragment formalism in crystal chemistryJournal of the American Chemical Society, 1980
- Variation in d(T-O),d(T...T) and ∠TOT in silica and silicate minerals, phosphates and aluminatesActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1979
- Compression mechanisms in α-quartz structures—SiO2 and GeO2Journal of Applied Physics, 1978
- Cristobalites and topologically-related structuresActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1976
- Interatomic forces and lattice dynamics of α-quartzJournal of Physics C: Solid State Physics, 1976
- On the mechanism of the α-β phase transformation of quartzJournal of Physics and Chemistry of Solids, 1975
- Geometrische und elektrostatische Berechnungen am Quarz- und am Cristobalit-Typ. I. Modelle mit AB4-Tetraedern der Symmetrie $$\bar 4$$ 3mTschermaks Mineralogische und Petrographische Mitteilungen, 1975
- Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force ConstantsThe Journal of Chemical Physics, 1970
- Elastic Moduli of Quartz versus Hydrostatic Pressure at 25° and − 195.8°CJournal of Applied Physics, 1965