High-pressure Raman study of the vibrational modes in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">AlPO</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SiO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:mat

Jayaraman, A.; Wood, D. L.; Maines, R. G.

doi:10.1103/physrevb.35.8316

Cited by 111 publications

(45 citation statements)

References 19 publications

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“…2. We have taken experimental shifts from the Raman results of Asell and Nicol (1968), Dean et al (1982), and Hemley (1987; also personal communication) (the Raman data of Jayaraman et al (1987) are not shown: these are nearly identical to those of Hemley), and from the infrared data of Wong et al (1985Wong et al ( , 1986. Before discussing the results of our calculation, we must note some potential problems with the assignments of Wong et al (1986).…”

Section: Vibrational Modes Of ~-Quartz As a Function Of Pressurementioning

confidence: 89%

Ab initio valence force field calculations for quartz

McMillan

Hess

1990

Phys Chem Minerals

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Abstract. We have derived valence force constants for the tetrahedral SiO4 unit and the inter-tetrahedral SiOSi linkage from previous ab initio molecular orbital calculations on H4SiO4 and H6SiaO7 using a split-valence polarized Gaussian basis set (6-31G*), and used these to calculate the infrared and Raman active vibrational modes of ~-quartz. The calculation gives frequencies approximately 15% greater than experiment, as expected from harmonic force constants obtained at this level of Hartree-Fock theory, but the calculation gives the correct distribution of modes within each frequency range. Calculated 28-30 Si and 16-18 O isotope shifts and pressure shifts to 6 GPa are also in reasonable agreement with experiment. We have also used our ab initio force field to calculate the vibrational spectrum for r-quartz. The results suggest either that inclusion of a torsional force constant is important for determining the stability of this high temperature polymorph, or that the r-quartz has a disordered structure with lower symmetry (P62) domains, as suggested by earlier diffraction studies.

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Section: Vibrational Modes Of ~-Quartz As a Function Of Pressurementioning

confidence: 89%

Ab initio valence force field calculations for quartz

McMillan

Hess

1990

Phys Chem Minerals

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“…Early industrial synthesized carborundum is usually not pure due to its poor process control and contains a mixture of SiC, quartz (SiO 2 ) and carbon (Shapiro et al 1967;Jayaraman et al 1987;Nakashima et al 2003;Jin and Shi 2008;Yang 2009). As a result, Raman signal intensities vary depending on the different proportions of these components.…”

Section: Resultsmentioning

confidence: 99%

Discovery of the Earliest Synthetic Carborundum (SiC) in Neolithic Jade Artifacts in Eastern China

Chou¹,

Zhang²,

He³

et al. 2014

Terr. Atmos. Ocean. Sci.

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Using Raman microscopy and scanning electron microscopy we have successfully identified, for the first time, synthetic silicon carbide (carborundum) particles in 15 unearthed relics and assorted remains from five out of six Neolithic sites (~4000 -7000 years b.p.) in Eastern China. Because of its extreme hardness, silicon carbide was apparently employed in the manufacture of ancient jade artifacts presumably as an abrasive for polishing. We show that Neolithic people may have already used this synthetic material to carve and polish both jade and quartz artifacts, contributing to the blooming development of the jade culture throughout ancient China.

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“…Colomban (2000Colomban ( , 2001 has described this complex picture in an elegant way, invoking several types of chain, sheet and three-dimensional structures labelled Q 0 -Q 4 , which can be assigned as follows: Q 0 , representing monomer SiO 4 units, with bands in the region 850-800 cm −1 ; Q 1 , representing Si 2 O 7 groups, with a band near 950 cm −1 ; Q 2 , silicate chains with bands in the region of 1100-1050 cm −1 ; Q 3 , silicate sheets with a band near 1100 cm −1 ; and Q 4 , representing SiO 2 and tectosilicates with a band in the range of 1250-1150 cm −1 . Additionally, spectral features may arise from crystalline quartz and its modifications caused by pressure or temperature extremes, for which the parent Si=O band occurs at 465 cm −1 (Jayaraman et al 1987;McMillan et al 1992;Schmidt & Ziemann 2000;Enami et al 2007). Figure 2 presents a typical spectrum collected from a glass bubble within a fulgurite specimen.…”

Section: Resultsmentioning

confidence: 99%

A Raman spectroscopic study of a fulgurite

Carter

Hargreaves

Kee

et al. 2010

Phil. Trans. R. Soc. A.

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A Raman microspectroscopic study of several fulgurites has been undertaken. A fulgurite is an amorphous mineraloid, a superheated glassy solid that is formed when a lightning bolt hits a sandy or rocky ground and thermal energy is transferred. The Raman spectra revealed several forms of crystalline and fused silica and also the presence of polyaromatic hydrocarbons found in an interfacial zone of a glass bubble. This, together with the presence of anatase, a low-temperature polymorph of TiO 2 , suggested that some regions of the fulgurite specimen were not subjected to temperatures of 1800 • C, which are attained when lightning hits the surface of sand or a rock.

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High-pressure Raman study of the vibrational modes inAlPO4andSiO2

Cited by 111 publications

References 19 publications

Ab initio valence force field calculations for quartz

Ab initio valence force field calculations for quartz

Discovery of the Earliest Synthetic Carborundum (SiC) in Neolithic Jade Artifacts in Eastern China

A Raman spectroscopic study of a fulgurite

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