DOI: 10.1063/1.1677474. Dynamics of β-Quartz Structures of Vitreous SiO2 and BeF2

Dynamics of β-Quartz Structures of Vitreous SiO2 and BeF2

10.1063/1.1677474

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The optically active vibrational modes of vitreous SiO2 and BeF2 were calculated using the β-quartz models determined for these materials from recent x-ray diffraction experiments. The assumption of regular β-quartz lattice models with the appropriate unit cell parameters resulted in good agreement between observed and calculated frequencies. The crystal potential functions of SiO2 and BeF2 were derived from a modified valence force field, and several force fields which differed in the type of interaction terms allowed were studied. Calculated mean amplitudes for Si–O and Be–F stretching motion and for O ··· O, Si ··· Si, F ··· F, and Be ··· Be nonbonded displacements were in good agreement with the respective mean amplitudes derived from the x-ray data.

Bibliography

Bates, J. B. (1972). Dynamics of Î²-Quartz Structures of Vitreous SiO2 and BeF2. The Journal of Chemical Physics, 56(5), 1910â1917.

Authors 1

John B. Bates (first)

References 22 Referenced 67

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10.1038/2121354a0 / Nature (1966)
10.1111/j.1151-2916.1970.tb12012.x / J. Am. Ceram. Soc. (1970)
{'key': '2024020908580311000_r4', 'first-page': '69', 'volume': '8', 'year': '1967', 'journal-title': 'Phys. Chem. Glasses'} / Phys. Chem. Glasses (1967)
10.1063/1.1677473 / J. Chem. Phys. (1972)
10.1063/1.1732116 / J. Chem. Phys. (1961)
10.1080/05704927108082604 / Appl. Spectry. Rev. (1971)
10.1016/0022-3697(70)90081-8 / J. Phys. Chem. Solids (1970)
{'key': '2024020908580311000_r9'}
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{'key': '2024020908580311000_r19'}
{'key': '2024020908580311000_r20'}
{'key': '2024020908580311000_r21'}

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 3:25 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 4:54 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 4:07 p.m.)
Issued	53 years, 5 months ago (March 1, 1972)
Published	53 years, 5 months ago (March 1, 1972)
Published Print	53 years, 5 months ago (March 1, 1972)

Funders 0

None

BibTeX

@article{Bates_1972, title={Dynamics of β-Quartz Structures of Vitreous SiO2 and BeF2}, volume={56}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1677474}, DOI={10.1063/1.1677474}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bates, John B.}, year={1972}, month=mar, pages={1910–1917} }

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