Ab initio calculation of interatomic force constants in H6Si2O7 and the bulk modulus of ? quartz and ? cristobalite
Author:
Publisher
Springer Science and Business Media LLC
Subject
Geochemistry and Petrology,General Materials Science
Link
http://link.springer.com/content/pdf/10.1007/BF00307620.pdf
Reference20 articles.
1. Barron, T.H.K, Huang, C.C., Pasternak, A.: Interatomic forces and lattice dynamics of ?-quartz. J. Phys. C: 9, 3925?3940 (1976)
2. Burdett, J.K.: How some simple solids hold together: The use of the fragment formalism in crystal chemistry. J. Am. Chem. Soc. 102, 450 (1980)
3. Fischer, R., Zemann, J.: Geometrische und electrostatische Berechnungen am Quarz- und am Cristobalit-Type. I. Modelle mit AB4 Tetraedern der Symmetrie $$\bar 4$$ m. Tschermaks Mineral. Petrogr. Mitt. 22, 1?14 (1975)
4. Grimm, H., Dorner, B.: On the mechanism of the ?-? phase transition in quartz. J. Phys. Chem. Solids 36, 407?413 (1975)
5. Hill, R.J., Gibbs, G.V.: Variation in d(T-O), d(T...T) and /TOT in silica and silicate minerals, phosphates and aluminates. Acta Crystallogr. Sect. B: 35, 25?30 (1979)
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