High-pressure and high-temperature Raman spectroscopic study of hydrous wadsleyite (β-Mg2SiO4)     

Xiaozhi Yang  Leonid Dubrovinsky  M. A. G. M. Manthilake  Qingguo Wei 《Physics and Chemistry of Minerals》2012,39(1):57-64

In situ Raman spectra of hydrous wadsleyite (β-Mg₂SiO₄) with ~1.5 wt% H₂O, synthesized at 18 GPa and 1,400°C, have been measured in an externally heated diamond anvil cell up to 15.5 GPa and 673 K. With increasing pressure (at room temperature), the three most intense bands at ~549, 720 and 917 cm⁻¹ shift continuously to higher frequencies, while with increasing temperature at 14.5 GPa, these bands generally shift to lower frequencies. The temperature-induced frequency shifts at 14.5 GPa are significantly different from those at ambient pressure. Moreover, two new bands at ~714 and ~550 cm⁻¹ become progressively significant above 333 and 553 K, respectively, and disappear upon cooling to room temperature. No corresponding Raman modes of these two new bands were reported for wadsleyite at ambient conditions, and they are thus probably related to thermally activated processes (vibration modes) at high-pressure and temperature conditions.  相似文献   

Raman spectroscopic study of hydrous wadsleyite (β-Mg2SiO4) to 50 GPa     

A. K. Kleppe  A. P. Jephcoat  H. Olijnyk  A. E. Slesinger  S. C. Kohn  B. J. Wood 《Physics and Chemistry of Minerals》2001,28(4):232-241

 Raman spectra of hydrous β-Mg₂SiO₄ (1.65 wt% H₂O) have been measured in a diamond-anvil cell with helium as a pressure-transmitting medium at room temperature to 50 GPa. We observe three OH-stretching modes, a doublet with components at 3329 and 3373 cm⁻¹, which decrease linearly with pressure, and a single mode at 3586 cm⁻¹, which remains nearly constant up to 24 GPa before decreasing at higher pressures. Assessment of the mode frequencies and their pressure dependence, together with previous results from X-ray and IR data, are consistent with protonation of the O1 site in agreement with previous studies. Strict assignment of Raman activity awaits detailed structural models. The nature of the protonation in wadsleyite may require more specific experimental probes for full solution of the hydrogen-site problem. Received: 18 July 2000 / Accepted: 22 November 2000  相似文献   

High-pressure Raman spectroscopic study of Fo90 hydrous wadsleyite     

Annette K. Kleppe  Andrew P. Jephcoat  Joseph R. Smyth 《Physics and Chemistry of Minerals》2006,32(10):700-709

Raman spectra of monoclinic Fo₉₀ hydrous wadsleyite with 2.4 wt% H₂O have been measured in a diamond-anvil cell with helium as a pressure-transmitting medium to 58.4 GPa at room temperature. The most intense, characteristic wadsleyite modes, the Si–O–Si symmetric stretch at 721 cm⁻¹ and the symmetric stretch of the SiO₃ unit at 918 cm⁻¹, shift continuously to 58.4 GPa showing no evidence of a first order change in the crystal structure despite compression well beyond the stability field of wadsleyite in terms of pressure. The pressure dependence of these two modes is nearly identical for Fo₉₀ hydrous and Fo₁₀₀ anhydrous wadsleyite. A striking feature in the high-pressure Raman spectra of Fo₉₀ hydrous wadsleyite is the appearance of new Raman modes above 9 GPa in the mid-frequency range (300–650 cm⁻¹ at 1-bar and shifted to 500–850 cm⁻¹ at 58.4 GPa) accompanied by a significant growth in their intensities under further compression. In the OH stretching frequency range Fo₉₀ hydrous wadsleyite exhibits a larger number of modes than the Mg end-member phase. The higher number of modes may be due to either additional protonation sites or simply that we observe a different subset of all possible OH modes for each sample. The high-pressure behaviour of the OH stretching modes of Fo₉₀ and Fo₁₀₀ hydrous wadsleyite is consistent: OH stretching modes with frequencies <3,530 cm⁻¹ decrease with increasing pressure whereas the higher-frequency OH modes show a close to constant pressure dependence to at least 13.2 GPa. The approximately constant pressure dependence of the OH modes above 3,530 cm⁻¹ is consistent with protons being located at the O1···O edges around M3.  相似文献   

Spectroscopic evidence for pressure-induced phase transitions in diopside     

A. Chopelas  G. Serghiou 《Physics and Chemistry of Minerals》2002,29(6):403-408

 Raman spectra of diopside were collected from atmospheric pressure to 71 GPa. The pressure dependences of 22 modes were determined. Changes occurred in the spectra at three different pressures. First, at approximately 10 GPa, the two Raman modes at 356 and 875 cm⁻¹ disappeared, while the mode at 324 cm⁻¹ split into two modes, diverging at this pressure with significantly different pressure shifts; second, at approximately 15 GPa, a small (1 to 2 cm⁻¹) drop in several of the frequencies was observed accompanied by changes in the pressure dependency of some of the modes; and third, above 55 GPa, the modes characteristic of chains of tetrahedrally coordinated silicon disappeared, while those for octahedrally coordinated silicon appeared. The first change at 10 GPa appears to be a C2/c to C2/c transition involving a change in the Ca coordination. The third change above 55 GPa appears to be a change in the silicon coordination. At 15 GPa, it is suggested that a change in compressional mechanism takes place. Received: 14 November 2000 / Accepted: 9 January 2002  相似文献   

Structural and vibrational behaviour of fluorapatite with pressure. Part I: in situ single-crystal X-ray diffraction investigation     

P. Comodi  Yu Liu  P. F. Zanazzi  M. Montagnoli 《Physics and Chemistry of Minerals》2001,28(4):219-224

Using single-crystal X-ray diffraction from a diamond anvil cell, the compressibility of a synthetic fluorapatite was determined up to about 7?GPa. The compression pattern was anisotropic, with greater change along a than c. Unit cell parameters varied linearly with β _a =3.32(8)?10^?3 and β _c =2.40(5)?10^?3 GPa^?1, giving a ratio β _a :β _c =1.38:1. Data fitted with a third-order Birch-Murnaghan EOS yielded a bulk modulus of K ₀=93(4)?GPa with K′=5.8(1.8). The evolution of the crystal structure of fluorapatite was analysed using data collected at room pressure, at 3.04 and 4.72?GPa. The bulk modulus of phosphate tetrahedron is about three times greater than the bulk modulus of calcium polyhedra. The values were 270(10), 100(4) and 86(3) GPa for P, Ca1 (nine-coordinated) and Ca2 (seven-coordinated) respectively. While the calcium polyhedra became more regular with pressure, the distortion of the phosphate tetrahedron remained unchanged. The size of the channel extending along the [001] direction represented the most compressible direction. The Ca2–Ca2 distance decreased from 3.982 to 3.897?Å on compression from 0.0001 to 4.72?GPa. The anisotropic compressional pattern may be understood in terms of the greater compressibility of the channel size over the polyhedral units. The reduction of the channel volume was measured by the evolution of the trigonal prism, having the Ca2–Ca2–Ca2 triangle as its base and the c lattice parameter as its height. This prism volume changed from 47.3?ų at room pressure to 44.78?ų at 4.72?GPa. Its relatively high bulk moduli, 86(3) GPa, indicated that the channel did not collapse with pressure and the apatite structure could remain stable at very high pressure.  相似文献   

Raman spectroscopic studies of carbonates part I: High-pressure and high-temperature behaviour of calcite,magnesite, dolomite and aragonite     

Philippe Gillet  Claudine Biellmann  Bruno Reynard  Paul McMillan 《Physics and Chemistry of Minerals》1993,20(1):1-18

The room-temperature Raman spectra of aragonite, magnesite and dolomite have been recorded up to 30 GPa and 25 GPa, respectively and no phase changes were observed during compression, unlike calcite. The effect of temperature on the room-pressure Raman spectra of calcite, aragonite, magnesite and dolomite is reported up to 800–1100 K. The measured relative pressure and temperature-shifts of the Raman lines are greater for the lattice modes than for the internal modes of the CO₃ groups. These shifts are used to calculate the mode anharmonic parameters of the observed Raman modes; they are negative and their absolute values are smaller (close to 0) for the internal CO₃ modes than for the lattice modes (4–17 10^?5 K^?1). The temperature shifts of the lattice modes in calcite are considerably larger than those for dolomite and magnesite, and a marked non-linear increase in linewidth is observed above 400° C for calcite. This is consistent with an increasing relaxational component to the libration of the CO₃ groups about their threefold axes, premonitory to the rotational order-disorder transition at higher temperature. This behaviour is not observed for the other calcite structured minerals in this study. We examine systematic variations in the lattice mode frequencies and linewidths with composition, to begin to understand these differences in their anharmonic behaviour. Finally, we have used a simple Debye-Waller model to calculate atomic displacements in calcite, magnesite and dolomite with increasing temperature from the vibrational frequency data, to provide a direct comparison with atomic positional data from high-temperature structure refinements.  相似文献   

Absorption spectra of Cr3+ in Al2O3 under shock compression     

Tsuneaki Goto  Thomas J. Ahrens  George R. Rossman 《Physics and Chemistry of Minerals》1979,4(3):253-263

Unpolarized absorption spectra of single crystals of Cr³⁺ doped Al₂O₃ (synthetic ruby) have measured using a new, time-resolving, dispersive, streak photographic system over the range ～350 to ～700 nm during a series of shock loading experiments. The crystal field absorptions assigned to the transition ⁴ A _2g→⁴ T _2g were observed to shift in a series of experiments from 555±1 nm at atmospheric pressure to 503±5 nm at 46 GPa. In a single experiment at 32 GPa the ⁴ A _2g→⁴ T _1g transition was observed to shift from 405±1 to 386±5 nm. The present data extrapolate downwards in compression toward the 10 GPa data of Stephens and Drickamer (1961) although both crystal field absorption energies increase considerably less with compression than predicted by the simple ionic point charge model. The single datum observed for the Racah parameter B, 588±38 cm^?1 at 32 GPa, is consistant with previous results to 10 GPa and the trend of decreasing B, with compression expected from the divergence of the data from the point charge model due to increasing covalancy.  相似文献   

Calculation of infrared and Raman vibration modes of magnesite at high pressure by density-functional perturbation theory and comparison with experiments     

Stewart J. Clark  Paul Jouanna  Julien Haines  David Mainprice 《Physics and Chemistry of Minerals》2011,38(3):193-202

We predict the IR-TO, IR-LO and Raman modes (wave numbers and intensities) of magnesite (MgCO₃) up to 50 GPa, at T = 0 K, using the density-functional perturbation theory up to a third order perturbation, under the harmonic assumption. The predicted IR-TO and Raman mode wave numbers, the mode Grüneisen parameters and the Davydov splittings are systematically compared with experimental data for all modes up to the pressures of 10–30 GPa and for some modes up to 50 GPa. Existing experiments allow extending this comparison only to IR-LO wave numbers of the E _u (ν₃) asymmetric-stretch mode, confirming the odd experimental behavior of this mode at very high pressures. Predicted IR-TO, IR-LO and Raman intensities up to 50 GPa are just tabulated, but data are missing for their comparison with precise experiments. However, the generally good agreement observed between numerical results and experimental data, when their comparison is possible, suggests that first-principles methods are a major help to predict the entire spectrum up to very high pressures.  相似文献   

Raman spectra of methane hydrate up to 86 GPa     

Shin-Ichi Machida  Hisako Hirai  Taro Kawamura  Yoshitaka Yamamoto  Takehiko Yagi 《Physics and Chemistry of Minerals》2007,34(1):31-35

High-pressure Raman studies of methane hydrate were performed using a diamond anvil cell in the pressure range of 0.1–86 GPa at room temperature. Raman spectra of the methane molecules revealed that new softened intramolecular vibration mode of ν ₁ appeared at 17 GPa and that the splitting of vibration mode of ν ₃ occurred at 15 GPa. The appearance of these two modes indicates that an intermolecular attractive interaction increases between the methane molecules and the host water molecules and between the neighboring methane molecules. These interactions might result in the exceptional stability of a high-pressure structure, a filled ice Ih structure (FIIhS) for methane hydrate, up to 40 GPa. At 40 GPa, a clear change in the slope of the Raman shift versus pressure occurred, and above 40 GPa the Raman shift of the vibration modes increased monotonously up to 86 GPa. A previous XRD study showed that the FIIhS transformed into another new high-pressure structure at 40 GPa. The change in the Raman spectra at 40 GPa may be induced by the transition of the structure.  相似文献   

Phase changes and thermodynamic properties of CaTiO3. Spectroscopic data,vibrational modelling and some insights on the properties of MgSiO3 perovskite     

Philippe Gillet  François Guyot  Geoffrey D. Price  Benoit Tournerie  Andrée Le Cleach 《Physics and Chemistry of Minerals》1993,20(3):159-170

The effect of pressure (up to 21 GPa at room temperature) and temperature (up to 1570 K at room pressure) on the Raman spectrum of CaTiO₃ is presented. No significant changes, which could be attributed to a major structural change, are observed in the spectra up to 22 GPa. The pressure shifts of the Raman modes can be related to a significant compression of the Ti-O bond. Discontinuous changes in the spectra upon heating may be related to phase changes observed by calorimetry and X-ray diffraction. The important temperature shifts of some low-frequency modes can be related to an increase in the Ti-O-Ti angle in agreement with the X-ray data showing a decrease of the structural distortion with increasing temperature. These data are compared to those available for MgSiO₃-perovskite and show that CaTiO₃ is a good structural analogue for MgSiO₃-perovskite. The present spectroscopic data are used to calculate the specific heat and entropy of CaTiO₃. The role of the low frequency modes in the calculations is emphasized. Good agreement is observed between calculated and experimentally determined values in the 0–1300 K temperature range. A similarly defined model is proposed for MgSiO₃-perovskite. It is found that the entropy lies between 57 and 64 J/mol/K at 298 K and between 190 and 200 J/mol/K at 1000 K in agreement with the values inferred from experimental equilibrium data. Finally we briefly discuss the values of the Grüneisen parameters of both perovskites inferred from macroscopic and microscopic data.  相似文献   

An infrared spectroscopic study of lawsonite to 20 GPa     

H. P. Scott  Q. Williams 《Physics and Chemistry of Minerals》1999,26(6):437-445

The infrared spectrum of CaAl₂Si₂O₇ · H₂O-lawsonite, has been characterized to pressures of 20 GPa at 300 K. Our results constrain the response to compression of the silicate tetrahedra, hydroxyl units, and water molecules in this material. The asymmetric and symmetric stretching and bending vibrations of the Si₂O₇ groups (at zero pressure frequencies between 600 and 1000 cm⁻¹) increase in frequency with pressure at rates between 3.6 and 5.9 cm⁻¹/GPa. All silicate modes appear to shift continuously with pressure to 20 GPa, although the lowest frequency stretching vibration becomes unresolvable above 18 GPa, and a splitting of the main bending vibration is observed near this pressure. The O-H stretches of the hydroxyl units exhibit a discontinuity in their mode shifts at ∼8–9 GPa, which we interpret to be produced by a pressure-induced change in hydrogen bonding. The stretching and bending vibrations of the water molecule are relatively unaffected by compression to 20 GPa, thus demonstrating that the structural cavities in which water molecules reside are relatively rigid. Significant changes in the amplitude of the O-H stretches of the hydroxyl and water units are observed at this pressure as well; nevertheless, our results demonstrate that the dominant structural units in lawsonite persist metastably at 300 K with only modest structural modifications well beyond the known stability field of this phase. Received: 10 July 1998 / Revised, accepted: 23 October 1998  相似文献   

The dehydration process of gypsum under high pressure     

P. Comodi  A. Kurnosov  S. Nazzareni  L. Dubrovinsky 《Physics and Chemistry of Minerals》2012,39(1):65-71

The effects of pressure on the dehydration of gypsum materials were investigated up to 633 K and 25 GPa by using Raman spectroscopy and synchrotron X-ray diffraction with an externally heated diamond anvil cell. At 2.5 GPa, gypsum starts to dehydrate around 428 K, by forming bassanite, CaSO₄ hemihydrate, which completely dehydrates to γ-anhydrite at 488 K. All the sulphate modes decrease linearly between 293 and 427 K with temperature coefficients ranging from −0.119 to −0.021 cm⁻¹ K⁻¹, where an abrupt change in the ν₃ mode and in the OH-stretching region indicates the beginning of dehydration. Increasing the temperature to 488 K, the OH-stretching modes completely disappear, marking the complete dehydration and formation of γ-anhydrite. Moreover, the sample changes from transparent to opaque to transparent again during the dehydration sequence gypsum-bassanite-γ-anhydrite, which irreversibly transforms to β-anhydrite form at 593 K. These data compared with the dehydration temperature at room pressure indicate that the dehydration temperature increases with pressure with a ΔP/ΔT slope equal to 230 bar/K. Synchrotron X-ray diffraction experiments show similar values of temperature and pressure for the first appearance of bassanite. Evidence of phase transition from β-anhydrite structure to the monazite type was observed at about 2 GPa under cold compression. On the other hand at the same pressure (2 GPa and 633 K), β-anhydrite was found, indicating a positive Clausis-Clayperon slope of the transition. This transformation is completely reversible as showed by the Raman spectra on the sample recovered after phase transition.  相似文献   

Raman spectroscopic study of high-pressure phase transitions in cristobalite     

David C. Palmer  Russell J. Hemley  Charles T. Prewitt 《Physics and Chemistry of Minerals》1994,21(8):481-488

The pressure dependence of the cristobalite Raman spectrum has been investigated to 22 GPa at room temperature, using single-crystal Raman spectroscopy with a diamond-anvil cell. We observe a rapid, first-order phase transition on increasing pressure, consistent with the cristobalite I?II transition revealed in previous x-ray diffraction experiments. The phase transition has been bracketed at 1.2±0.1 GPa on increasing pressure and 0.2±0.1 GPa on decreasing pressure. The pressure shifts II) of 11 Raman bands in the high-pressure phase (cristobalite have been measured. Evidence for an unusual hybridization of modes at 490–500 cm^?1 is found. Changes in the Raman spectra also reveal an additional phase transition to a new phase at P ≈ 11 GPa, which remains to be fully characterized.  相似文献   

The fluorescence sideband method for obtaining acoustic velocities at high compressions: application to MgO and MgAl2O4     

A. Chopelas 《Physics and Chemistry of Minerals》1996,23(1):25-37

Sound velocities to 37 GPa have been obtained for MgO based on new sideband measurements and sound velocities have been calculated for MgAl₂O₄ to 11 GPa based on previous sideband measurements. The basic principles of the sideband fluorescence method are presented and it is shown that the vibrational mode energies in the sidebands are independent of the impurity cation and represent modes of the undisturbed lattice. Furthermore, it is shown that the acoustic modes represent spherically averaged velocities by comparison of these results to the directional information provided by ultrasonic data. The resulting pressure derivatives of the elastic moduli for both materials are in excellent agreement with those derived from lower-pressure ultrasonic data. The velocities over the pressure range of this study may be described by the following relations: for MgO, v_s=6.05 (1)+0.0381 (13) · P-3.6(4) × 10^?4 · P² and v_P=9.70(2)+0.0704(20) · P-5.6(6)×10^?4 · P² and for MgAl₂O₄, v_s=5.49(5)+0.001(11) · P and v_P = 9.785 (11)+0.047 (5) · P-0.0010(5) · P² where the pressure P is in GPa. Velocity is linear with density over the pressure range of this study.  相似文献   

(Na,Ca)(Ti3+,Mg)Si2O6-clinopyroxenes at high pressure: influence of cation substitution on elastic behavior and phase transition     

Angela Ullrich  Ronald Miletich  Tonci Balic-Zunic  Lars Olsen  Fabrizio Nestola  Manfred Wildner  Haruo Ohashi 《Physics and Chemistry of Minerals》2010,37(1):25-43

A compressional study of (Na,Ca)(Ti³⁺,Mg)Si₂O₆-clinopyroxenes was carried out at high pressures between 10⁻⁴ and 10.2 GPa using in situ single-crystal X-ray diffraction, Raman spectroscopy and optical absorption spectroscopy. Compressional discontinuities accompanied by structural changes, in particular, the appearance of two distinct Ti³⁺–Ti³⁺ distances within the octahedral chains at 4.37 GPa, provide evidence for the occurrence of a phase transition in NaTi³⁺Si₂O₆. Equation-of-state parameters are K ₀ = 115.9(7) GPa with K′ = −0.9(3) and K ₀ = 102.7(8) GPa with K′ = 4.08(5) for the low- and high-pressure range, respectively. The transition involves a C2/c–P [`1] \overline{1} symmetry change, which can be confirmed by the occurrence of new modes in Raman spectra. Since no significant discontinuity in the evolution of the unit-cell volume with pressure has been observed, the transition appears to be second-order in character. The influence of the coupled substitution Na⁺Ti³⁺↔Ca²⁺Mg²⁺ on the static compression behavior and the structural stability has been investigated using a sample of the intermediate composition (Na_0.54Ca_0.46)(Mg_0.46Ti_0.54)Si₂O₆. No evidence for a deviation from continuous compression behavior has been found, neither in lattice parameter nor in structural data and the fit of a third-order Birch–Murnaghan equation-of-state to the pressure–volume data yields a bulk modulus of K ₀ = 109.1(5) GPa and K′ = 5.02(13). Raman and polarized absorption spectra have been compared to NaTiSi₂O₆ and reveal major similarities. The main driving force for the phase transition in NaTi³⁺Si₂O₆ is the localization of the Ti³⁺ d-electron and the accompanying distortion, which is suppressed in the (Na,Ca)(Ti³⁺,Mg)Si₂O₆-clinopyroxene.  相似文献   

High-pressure Raman spectroscopic study of Mn2GeO4, Ca2GeO4, Ca2SiO4, and CaMgGeO4 olivines     

Bruno Reynard  Corinne Remy  Fouzia Takir 《Physics and Chemistry of Minerals》1997,24(2):77-84

We present a Raman spectroscopic study of the structural modifications of several olivines at high pressures and ambient temperature. At high pressures, the following modifications in the Raman spectra are observed: 1)?in Mn₂GeO₄, between 6.7 and 8.6?GPa the appearance of weak bands at 560 and 860?cm^?1; between 10.6 and 23?GPa, the progressive replacement of the olivine spectrum by the spectrum of a crystalline high pressure phase; upon decompression, the inverse sequence of transformations is observed with some hysteresis in the transformation pressures; this sequence may be interpreted as the progressive transformation of the olivine to a spinelloid where Ge tetrahedra are polymerized, and then to a partially inverse spinel; 2)?in Ca₂SiO₄, the olivine transforms to larnite between 1.9 and 2.1?GPa; larnite is observed up to the maximum pressure of 24?GPa and it can partially back-transform to olivine during decompression; 3)?in Ca₂GeO₄, the olivine transforms to a new structure between 6.8 and 8?GPa; the vibrational frequencies of the new phase suggest that the phase transition involves an increase of the Ca coordination number and that Ge tetrahedra are isolated; this high pressure phase is observed up to the maximum pressure of 11?GPa; during decompression, it transforms to a disordered phase below 5?GPa; 4)?in CaMgGeO₄, no significant modification of the olivine spectrum is observed up to 15?GPa; between 16 and 26?GPa, broadening of some peaks and the appearance of a weak broad feature at 700–900?cm^?1 suggests a progressive amorphization of the structure; near 27?GPa, amorphization is complete and an amorphous phase is quenched down to ambient pressure; this unique behaviour is interpreted as the result of the incompatibilities in the high pressure behaviour of the Ca and Mg sublattices in the olivine structure.  相似文献   

Studies on the reflectance spectral features of saline soil along the middle reaches of Tarim River: a case study in Xinjiang Autonomous Region, China     

Fei Zhang  Tashpolat Tiyip  Jianli Ding  Hsiangte Kung  Verner C. Johnson  Mamat Sawut  Nigara Tashpolat  Dongwei Gui 《Environmental Earth Sciences》2013,69(8):2743-2761

There has been growing interest in the use of reflectance spectroscopy as a rapid and inexpensive tool for soil characterization. In this study, 53 soil samples were collected from the oasis in the Weigan and Kuqa River delta along the middle reaches of Tarim River to investigate the level of soil chemical components in relation to soil spectral. An approach combining spectral technology and multi-variant statistical analysis was used to determine the reflectance spectral features of saline soil. The spectral data was first pretreated to remove noises and absorption bands from water, which eliminated influence from instrument errors and other external background factors. Several spectral absorption features were calculated for several saline soil samples to confirm that soil at the same salinity level had similar absorption spectral properties. Secondly, a correlation relationship between reflectance spectra and salinity factors was estimated by bivariate correlation method. Fourteen salinity factors including eight major ions and soil electrical conductivity (EC), soil salt content (SSC), pH, and total dissolved solid (TDS) in the saline soil were evaluated. Datasets of the salinity factors that correlated significantly with field data measurements of reflectance rate and the corresponding spectrum data were used to construct quantitative regression models. According to the multiple linear regression analysis, SSC, SO₄ ^2?, TDS, and EC had a correlation coefficient at 0.746, 0.908, 0.798, and 0.933 with the raw spectral data, respectively, which confirmed strong correlation between salinity factors and soil reflectance spectrum. Findings from this study will have significant impact on characterization of spectral features of saline soil in oasis in arid land.  相似文献   

Elasticity of CaSnO3 perovskite     

J. Kung  R. J. Angel  N. L. Ross 《Physics and Chemistry of Minerals》2001,28(1):35-43

The elastic properties of CaSnO₃ perovskite have been measured by both ultrasonic interferometry and single-crystal X-ray diffraction at high pressures. The single-crystal diffraction data collected using a diamond-anvil cell show that CaSnO₃ perovskite does not undergo any phase transitions at pressures below 8.5?GPa at room temperature. Ultrasonic measurements in the multianvil press to a maximum pressure of ～8?GPa at room temperature yielded S- and P-wave velocity data as a function of pressure. For a third-order Birch-Murnaghan EoS the adiabatic elastic moduli and their pressure derivatives determined from these velocity data are K _S0=167.2±3.1?GPa, K ^′ _S0=4.89±0.17, G ₀=89.3±1.0?GPa, G ^′ ₀=0.90±0.02. The quoted uncertainties include contributions from uncertainties in both the room pressure length and density of the specimen, as well as uncertainties in the pressure calibration of the multianvil press. Because the sample is a polycrystalline specimen, this value of K _S0 represents an upper limit to the Reuss bound (conditions of uniform stress) on the elastic modulus of CaSnO₃ perovskite. If the value of αγT is assumed to be 0.01, the value of K _S0 corresponds to K _T0=165.5±3.1?GPa. The 10 P-V data obtained by single-crystal diffraction were fit with a third-order Birch–Murnaghan equation-of-state to obtain the parameters V ₀=246.059±0.013 ų, K _T0=162.6±1.0?GPa, K ^′ _T0=5.6±0.3. Because single-crystal measurements under hydrostatic conditions are made under conditions of uniform stress, they yield bulk moduli equivalent to the Reuss bound on a polycrystalline specimen. The results from the X-ray and ultrasonic experiments are therefore consistent. The bulk modulus of CaSnO₃ perovskite lies above the linear trend of K ₀ with inverse molar volume, previously determined for Ca perovskites. This prevents an estimation of the bulk modulus of CaSiO₃ perovskite by extrapolation. However, our value of G ₀ for CaSnO₃ perovskite combined with values for CaTiO₃ and CaGeO₃ forms a linear trend of G ₀ with octahedral tilt angle. This allows a lower bound of 150?GPa to be placed on the shear modulus of CaSiO₃ by extrapolation.  相似文献   

Raman spectroscopic study of PbCO3 at high pressures and temperatures     

Robert Minch  Leonid Dubrovinsky  Alexandr Kurnosov  Lars Ehm  Karsten Knorr  Wulf Depmeier 《Physics and Chemistry of Minerals》2010,37(1):45-56

Cerussite (PbCO₃) has been investigated by high-pressure and high-temperature Raman spectroscopy up to pressures of 17.2 GPa and temperatures of 723 K. Two pressure induced phase transitions were observed at about 8.0(2) and 16.0(2) GPa, respectively. The post-aragonite transition (PbCO₃-II) at 8.0(2) GPa is accompanied by softening of the v ₂-out-of-plane mode of the CO ₃ ^2? group and disappearance of the B_1g (v ₄-in-plane band of the CO ₃ ^2? group) mode. Stronger shifts of the carbonate group modes after the phase transition suggest that the new structure is more compressible. The formation of a second high-pressure polymorph begins at about 10 GPa. It is accompanied by the occurrence of three new bands at different pressures and splitting of the v ₁-symmetric C–O stretching mode of the CO ₃ ^2? group. The transitions are reversible on pressure release. A semi-quantitative phase diagram for PbCO₃ as a function of pressure and temperature is proposed.  相似文献   

Unquenchable high-pressure perovskite polymorphs of MnSnO3 and FeTiO3     

Kurt Leinenweber  Wataru Utsumi  Yoshihiko Tsuchida  Takehiko Yagi  Kei Kurita 《Physics and Chemistry of Minerals》1991,18(4):244-250

New high-pressure orthorhombic (GdFeO₃-type) perovskite polymorphs of MnSnO₃ and FeTiO₃ have been observed using in situ powder X-ray diffraction in a diamond-anvil cell with synchrotron radiation. The materials are produced by the compression of the lithium niobate polymorphs of MnSnO₃ and FeTiO₃ at room temperature. The lithium niobate to perovskite transition occurs reversibly at 7 GPa in MnSnO₃, with a volume change of -1.5%, and at 16 GPa in FeTiO₃, with a volume change of -2.8%. Both transitions show hysteresis at room temperature. For MnSnO₃ perovskite at 7.35 (8) GPa, the orthorhombic cell parameters are a=5.301 (2) A, b=5.445 (2) Å, c=7.690 (8) Å and V= 221.99 (15) ų. Volume compression data were collected between 7 and 20 GPa. The bulk modulus calculated from the compression data is 257 (18) GPa in this pressure region. For FeTiO₃ perovskite at 18.0 (5) GPa, cell parameters are a=5.022 (6) Å, b=5.169 (5) Å, c=7.239 (9) Å and V= 187.94 (36) ų. Based on published data on the quench phases, the FeTiO₃ perovskite breaks down to a rocksalt + baddelyite mixture of FeO and TiO₂ at 23 GPa. This is the first experimental verification of the pressure-induced breakdown of a perovskite to simple oxides.  相似文献