참고문헌
- Andrault, D., Fiquet, G., Guyot, F., and Hanfland, M. (1998) Pressure-induced Landau-type transition in stishovite. Science 282, 720-724. https://doi.org/10.1126/science.282.5389.720
- Andrault, D., Pesce, G., Bouhifd, M.A., Casanova, B.N., Henot, J.M., and Mezouar, M. (2014) Melting of subducted basalt at the core-mantle boundary. Science 344, 892-895. https://doi.org/10.1126/science.1250466
-
Arai, S., Shimizu, Y., and Gervilla, F. (2003) Quartz diorite veins in a peridotite xenolith from Tallante, Spain: implications for reaction and survival of slab-derived
$SiO_2$ -oversaturated melt in the upper mantle. Proceedings of the Japan Academy, Series B 79, 145-150. - Blaha, P., Schwarz, K., Madsen, G., Kvasnicka, D., and Luitz, J. (2001) WIEN2k. An augmented plane wave+ local orbitals program for calculating crystal properties.
- Cataldo, G.F., Davis, S., and Gutierrez, G. (2016) Z method calculations to determine the melting curve of silica at high pressures. Journal of Physics: Conference Series 720, 012032. https://doi.org/10.1088/1742-6596/720/1/012032
-
Cohen, R.E. (1993) First-principles predictions of elasticity and phase transitions in high pressure
$SiO_2$ and geophysical implications. High-pressure research: Application to earth and planetary sciences, 425-431. -
Cordier, P., Mainprice, D., and Mosenfelder, J.L. (2004) Mechanical instability near the stishovite-
$CaCl_2$ phase transition. European journal of mineralogy 16, 387-399. https://doi.org/10.1127/0935-1221/2004/0016-0387 - Driver, K.P., Cohen, R.E., Wu, Z., Militzer, B., Rios, P.L., Towler, M.D., Needs, R.J., and Wilkins, J.W. (2010) Quantum Monte Carlo computations of phase stability, equations of state, and elasticity of high-pressure silica. Proceedings of the National Academy of Sciences 107, 9519-9524. https://doi.org/10.1073/pnas.0912130107
- Fukui, H., Kanzaki, M., Hiraoka, N., and Cai, Y.Q. (2008) Coordination environment of silicon in silica glass up to 74 GPa: An x-ray Raman scattering study at the silicon L-edge. Physical Review B 78, 012203. https://doi.org/10.1103/PhysRevB.78.012203
- Fukui, H., Kanzaki, M., Hiraoka, N., and Cai, Y.Q. (2009) X-ray Raman scattering for structural investigation of silica/silicate minerals. Physics and Chemistry of Minerals 36, 171-181. https://doi.org/10.1007/s00269-008-0267-x
- Hebert, C. (2007) Practical aspects of running the WIEN2k code for electron spectroscopy. Micron 38, 12-28. https://doi.org/10.1016/j.micron.2006.03.010
- Hiraoka, N. and Cai, Y.Q. (2010) High-pressure studies by x-ray Raman scattering. Synchrotron Radiation News 23, 26-31.
- Hirose, K., Takafuji, N., Sata, N., and Ohishi, Y. (2005) Phase transition and density of subducted MORB crust in the lower mantle. Earth and Planetary Science Letters 237, 239-251. https://doi.org/10.1016/j.epsl.2005.06.035
-
Ito, E., Takahashi, E., and Matsui, Y. (1984) The mineralogy and chemistry of the lower mantle: an implication of the ultrahigh-pressure phase relations in the system
$MgO-FeO-SiO_2$ . Earth and Planetary Science Letters 67, 238-248. https://doi.org/10.1016/0012-821X(84)90119-5 - Jorissen, K. and Rehr, J.J. (2010) Calculations of electron energy loss and x-ray absorption spectra in periodic systems without a supercell. Physical Review B 81, 245124. https://doi.org/10.1103/PhysRevB.81.245124
- Kaneshima, S. and Helffrich, G. (1999) Dipping low-velocity layer in the mid-lower mantle: evidence for geochemical heterogeneity. Science 283, 1888-1892. https://doi.org/10.1126/science.283.5409.1888
- Karki, B.B., Warren, M.C., Stixrude, L., Ackland, G.J., and Crain, J. (1997) Ab initio studies of high-pressure structural transformations in silica. Physical Review B 55, 3465.
- Kesson, S.E., Gerald, J.D.F., and Shelley, J.M.G. (1994) Mineral chemistry and density of subducted basaltic crust at lower-mantle pressures. Nature 372, 767-769. https://doi.org/10.1038/372767a0
- Kingma, K.J., Cohen, R.E., Hemley, R.J., and Mao, H.K. (1995) Transformation of stishovite to a denser phase at lower-mantle pressures. Nature 374, 243-245. https://doi.org/10.1038/374243a0
- Knittle, E. and Jeanloz, R. (1991) Earth's core-mantle boundary: results of experiments at high pressures and temperatures. Science 251, 1438. https://doi.org/10.1126/science.251.5000.1438
- Kohn, W. and Sham, L.J. (1965) Self-consistent equations including exchange and correlation effects. Physical review 140, A1133. https://doi.org/10.1103/PhysRev.140.A1133
- Krisch, M. and Sette, F. (2002) X-ray Raman scattering from low-z materials. Surface Review and Letters 9, 969-976. https://doi.org/10.1142/S0218625X02001689
-
Kuwayama, Y., Hirose, K., Sata, N., and Ohishi, Y. (2011) Pressure-induced structural evolution of pyrite- type
$SiO_2$ . Physics and Chemistry of Minerals 38, 591-597. https://doi.org/10.1007/s00269-011-0431-6 - Lee, S.K., Eng, P.J., and Mao, H.K. (2014) Probing of pressure-induced bonding transitions in crystalline and amorphous earth materials: insights from x-ray Raman scattering at high pressure. Reveiws Mineralogy and Geochemistry 78, 139-174. https://doi.org/10.2138/rmg.2014.78.4
-
Lee, S.K., Eng, P.J., Mao, H.K., Meng, Y., Newville, M., Hu, M.Y., and Shu, J. (2005b) Probing of bonding changes in
$B_2O_3$ glasses at high pressure with inelastic x-ray scattering. Nature Materials 4, 851-854. https://doi.org/10.1038/nmat1511 -
Lee, S.K., Lin, J.F., Cai, Y.Q., Hiraoka, N., Eng, P.J., Okuchi, T., Mao, H.K., Meng, Y., Hu, M.Y., and Chow, P. (2008) X-ray Raman scattering study of
$MgSiO_3$ glass at high pressure: Implication for triclustered$MgSiO_3$ melt in Earth's mantle. Proceedings of the National Academy of Sciences 105, 7925-7929. https://doi.org/10.1073/pnas.0802667105 -
Lee, S.K., Park, S.Y., Kim, H.I., Tschauner, O., Asimow, P., Bai, L., Xiao, Y., and Chow, P. (2012) Structure of shock compressed model basaltic glass: Insights from O K-edge x-ray Raman scattering and high-resolution
$^{27}Al$ NMR spectroscopy. Geophysical Research Letters 39. -
Lin, J.F., Fukui, H., Prendergast, D., Okuchi, T., Cai, Y.Q., Hiraoka, N., Yoo, C.S., Trave, A., Eng, P., and Hu, M.Y. (2007) Electronic bonding transition in compressed
$SiO_2$ glass. Physical Review B 75, 012201. - Mao, W.L., Mao, H.K., Eng, P.J., Trainor, T.P., Newville, M., Kao, C.C., Heinz, D.L., Shu, J., Meng, Y., and Hemley, R.J. (2003) Bonding changes in compressed superhard graphite. Science 302, 425-427. https://doi.org/10.1126/science.1089713
- Meng, Y., Eng, P.J., John, S.T., Shaw, D.M., Hu, M.Y., Shu, J., Gramsch, S.A., Kao, C.C., Hemley, R.J., and Mao, H.K. (2008) Inelastic x-ray scattering of dense solid oxygen: Evidence for intermolecular bonding. Proceedings of the National Academy of Sciences 105, 11640-11644. https://doi.org/10.1073/pnas.0805601105
- Momma, K. and Izumi, F. (2011) VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. Journal of Applied Crystallography 44, 1272-1276. https://doi.org/10.1107/S0021889811038970
-
Murakami, M., Hirose, K., Ono, S., and Ohishi, Y. (2003) Stability of
$CaCl_2$ -type and${\alpha}-PbO_2$ -type$SiO_2$ at high pressure and temperature determined by in-situ x-ray measurements. Geophysical Research Letters 30. - Nettelmann, N., Fortney, J.J., Kramm, U., and Redmer, R. (2011) Thermal evolution and structure models of the transiting super-Earth GJ 1214b. The Astrophysical Journal 733, 2. https://doi.org/10.1088/0004-637X/733/1/2
- Ono, S., Ito, E., and Katsura, T. (2001) Mineralogy of subducted basaltic crust (MORB) from 25 to 37 GPa, and chemical heterogeneity of the lower mantle. Earth and Planetary Science Letters 190, 57-63. https://doi.org/10.1016/S0012-821X(01)00375-2
- Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., and Joannopoulos, J.D. (1992) Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Reviews of Modern Physics 64, 1045. https://doi.org/10.1103/RevModPhys.64.1045
- Perdew, J.P., Ruzsinszky, A., Csonka, G.I., Vydrov, O.A., Scuseria, G.E., Constantin, L.A., Zhou, X., and Burke, K. (2008) Restoring the density-gradient expansion for exchange in solids and surfaces. Physical Review Letters 100, 136406. https://doi.org/10.1103/PhysRevLett.100.136406
-
Pirkle, A., Chan, J., Venugopal, A., Hinojos, D., Magnuson, C.W., McDonnell, S., Colombo, L., Vogel, E.M., Ruoff, R.S., and Wallace, R.M. (2011) The effect of chemical residues on the physical and electrical properties of chemical vapor deposited graphene transferred to
$SiO_2$ . Applied Physics Letters 99, 122108. https://doi.org/10.1063/1.3643444 -
Schmahl, W.W., Swainson, I.P., Dove, M.T., and Graeme-Barber, A. (1992) Landau free energy and order parameter behaviour of the
${\alpha}/{\beta}$ phase transition in cristobalite. Zeitschrift fur Kristallographie-Crystalline Materials 201, 125-146. - Schwarz, K. (2003) DFT calculations of solids with LAPW and WIEN2k. Journal of Solid State Chemistry 176, 319-328. https://doi.org/10.1016/S0022-4596(03)00213-5
- Sidorin, I., Gurnis, M., and Helmberger, D.V. (1999) Evidence for a ubiquitous seismic discontinuity at the base of the mantle. Science 286, 1326-1331. https://doi.org/10.1126/science.286.5443.1326
- Sternemann, C., Volmer, M., Soininen, J.A., Nagasawa, H., Paulus, M., Enkisch, H., Schmidt, G., Tolan, M., and Schulke, W. (2003) Momentum-transfer dependence of x-ray Raman scattering at the Be K-edge. Physical Review B 68, 035111. https://doi.org/10.1103/PhysRevB.68.035111
- Stixrude, L. and Jeanloz, R. (2007) Constraints on seismic models from other disciplines-constraints from mineral physics on seismological models-1.22.
- Sun, S.S. (1987) Chemical composition of Archaean komatiites: implications for early history of the earth and mantle evolution. Journal of volcanology and geothermal research 32, 67-82. https://doi.org/10.1016/0377-0273(87)90037-0
- Tse, J.S. (2002) Ab initio molecular dynamics with density functional theory. Annual review of physical chemistry 53, 249-290. https://doi.org/10.1146/annurev.physchem.53.090401.105737
- Tsuchiya, T., Caracas, R., and Tsuchiya, J. (2004) First principles determination of the phase boundaries of high-pressure polymorphs of silica. Geophysical Research Letters 31.
-
Tsuchiya, T.a.T., J. (2011) Prediction of a hexagonal
$SiO_2$ phase affecting stabilities of$MgSiO_3$ and$CaSiO_3$ at multimegabar pressures. Proceedings of the National Academy of Sciences 108, 1252-1255. https://doi.org/10.1073/pnas.1013594108 - Will, G., Bellotto, M., Parrish, W., and Hart, M. (1988) Crystal structures of quartz and magnesium germanate by profile analysis of synchrotron-radiation high-resolution powder data. Journal of Applied Crystallography 21, 182-191. https://doi.org/10.1107/S0021889887011567
- Wu, M., Liang, Y.F., Jiang, J.Z., and John, S.T. (2012) Structure and properties of dense silica glass. Scientific reports 2.
-
Wu, S., Umemoto, K., Ji, M., Wang, C.Z., Ho, K.M., and Wentzcovitch, R.M. (2011) Identification of post-pyrite phase transitions in
$SiO_2$ by a genetic algorithm. Physical Review B 83, 184102. https://doi.org/10.1103/PhysRevB.83.184102 -
Yi, Y.S. and Lee, S.K. (2012) Pressure-induced changes in local electronic structures of
$SiO_2$ and$MgSiO_3$ polymorphs: Insights from ab initio calculations of O K-edge energy-loss near-edge structure spectroscopy. American Mineralogist 97, 897-909. https://doi.org/10.2138/am.2012.3943 -
Yi, Y.S. and Lee, S.K. (2014) Quantum chemical calculations of the effect of Si-O bond length on x-ray Raman scattering features for
$MgSiO_3$ perovskite. Journal of the Mineralogical Society of Korea 27, 1-15. https://doi.org/10.9727/jmsk.2014.27.1.11 -
Yi, Y.S. and Lee, S.K. (2016) Atomistic origins of pressure-induced changes in the O K-edge x-ray Raman scattering features of
$SiO_2$ and$MgSiO_3$ polymorphs: Insights from ab initio calculations. Physical Review B 94, 094110. https://doi.org/10.1103/PhysRevB.94.094110 -
Yi, Y.S.L. and S. K. (2010) Local electronic structures of
$SiO_2$ polymorph crystals: Insights from O K-edge energy-loss near-edge spectroscopy. Journal of the Mineralogical Society of Korea 23, 403-411. -
Yonehara, T., Smith, H.I., Thompson, C.V., and Palmer, J.E. (1984) Graphoepitaxy of Ge on
$SiO_2$ by solid-state surface-energy-driven grain growth. Applied Physics Letters 45, 631-633. https://doi.org/10.1063/1.95336
피인용 문헌
- 양자화학계산을 이용한 SiO2 동질이상의 전자 구조와 Si L2,3-edge X-선 라만 산란 스펙트럼 분석 vol.33, pp.1, 2020, https://doi.org/10.22807/kjmp.2020.33.1.1