Pressure-Induced Phase Transition in Mn(Ta,Nb)2O6: An Experimental Investigation and First-Principle Study.

The high-pressure and high-temperature behaviors of manganotantalite Mn(Ta,Nb)2O6 have been investigated by single-crystal X-ray diffraction and Raman spectroscopy combined with diamond anvil cell technique, as well as first-principle calculations. A pressure-induced reversible phase transition of manganotantalite occurs at 9.5 GPa and room temperature, accompanied by a large volume collapse (∼7.0%) and drastic color change from brownish-yellow to red. The space groups of low-pressure (LP) and high-pressure (HP) phases are the same (Pbcn), but the coordination numbers of Mn increase from six to eight and Ta increase from six to seven, respectively. The band gap becomes narrow from 2.37 to 1.59 eV. We determined the P-T phase diagram of manganotantalite with a positive Clapeyron slope of dP/dT = 0.0073 GPa/K. The P-V data were fitted to a second-order Birch-Murnaghan equation of state with B0 = 149(4) GPa for the LP phase and B0 = 188(3) GPa for the HP phase. The isothermal Grüneisen parameters were determined to be 0.23∼2.03 of the LP phase and 0.59∼0.86 of the HP phase for Raman modes. High-pressure behaviors of Mn(Ta,Nb)2O6 indicate that this kind of material is a potential effective pressure sensor to monitor pressure change or warn pressure abnormality.

[Spectra and Mineralogy Study on Black Tianhuang and Kengtou Stone from Shoushan, Fujian Province].

Shoushan Stone is one of the national stones of our country which is also the most famous stone of the four outstanding seal stones in China. As to Shoushan stones, black Tianhuang stone is a kind of black colored stone. It is one of the most special species in Tianhuang stones which comes from fields beside the Shoushan Brook. The black Kengtou stone comes from Kengtou Zhan, its original place. In this study, black Tianhuang stone is studied and compared with black Kengtou stone by using X-ray powder diffraction spectrometer (XRD), infrared spectrometer (IR), laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), and scanning electron microscopy (SEM) in order to analyze the mineral composition, characteristic of infrared spectra, color genesis, and characteristic of micro- morphology of these stones. The results of the study indicate that the mineral compositions are different between these stones. The analysis of IR and XRD studies indicate that the black Kengtou stone is mainly composed of dickite. On the other hand, XRD analysis indicates that it can contain a small amount of pyrophyllite, illite, pyrite, and quartz. However, the analysis of IR and XRD studies indicate that black Tianhuang stone is mainly composed of dickite or nacrite. On the other hand, XRD analysis indicates that the minor mineral composition in the black Kengtou stone can be svanbergite and tochilinite. Their characteristics of micro-morphology of black Tianhuang stone and black Kengtou stone are also different. The crystal size of dickite in black Tianhuang stone is inconformity, and the margin of lamellae crystals is smoothed. It indicates that such kind of stone had undergone corrosion effect due to water-rock reaction. On the other hand, the black Kengtou stone are well crystalized. The lamellae has sharp margin, and the size of the lamellae is relatively uniform. It indicates that the black Kengtou stone is original ore. According to the trace chemical composition analysis of LA-ICP-MS, it preliminary suggests that black color of both black Tianhuang and Kengtou stones have relationship with Fe element. The final conclusion of color genesis needs more experiments to prove.

[Current quality management situation and administration countermeasure study of enterprises marketing corneal contact lens].

OBJECTIVE: Study the current quality management situation of enterprises marketing corneal contact lens via systemic investigations and explore effective administration countermeasures in the future. METHODS: The quality management indicators of sixty-two corneal contact lens marketing enterprises in Xuhui district of Shanghai were systematically investigated and enterprises of different operation models was compared and analyzed. RESULTS: Wholesale enterprises and retail chain enterprises are apparently better than independent enterprises almost in all facets. CONCLUSION: Facilitate market accession of corneal contact lens marketing enterprises, encourage the business model of retail chain, enhance supervision of corneal contact lens marketing enterprises, especially independent franchisors.

Unusual Pressure-Induced Self-Trapped Exciton to Free Exciton Transfer in Chiral 2D Lead Bromide Perovskites.

The phenomenon of pressure-induced emission alterations related to complex excitonic dynamics in 2D lead halide perovskites (LHPs) has gained considerable attention for understanding their structure-property relationship and obtaining inaccessible luminescence under ambient conditions. However, the well-known pressure-induced emissions are limited to the formation of self-trapped excitons (STEs) due to the structural distortion under compression, which goes against the advantage of the highly pure emission of LHPs. Here, the pressure-induced detrapping from STEs to free excitons (FEs) accompanied by the dramatic transition from broadband orangish emission to narrow blue emission has been achieved in chiral 2D LHPs and R- and S-[4MeOPEA]2PbBr4, (4MeOPEA = 4-methoxy-α-methylbenzylammonium). The combined experimental and calculated results reveal that the distortion level of PbBr6 octahedra of R- and S-[4MeOPEA]2PbBr4 exhibits an unusually significant reduction as the applied pressure increases, which leads to decreased electron-phonon coupling and self-trapped energy barrier and consequently enables the detrapping of STEs to FEs. This work illustrates the dramatic exciton transfer in 2D LHPs and highlights the potential for realizing highly efficient and pure light emissions by manipulating the structural distortion via strain engineering.

[Gemology and spectra characterization of gem garnet from Muling City, Heilongjiang Province].

Cenozoic basalts gem-garnets from Muling City, Heilongjiang Province were studied by using standard gemological methods, electron microprobe, Raman spectroscopy, infrared spectroscopy, and ultraviolet-visible spectroscopy to obtain the gemology and spectra characterization. Chemical composition analysis indicates that the garnets are pyropes with some impurity element Fe, Ca, Mn, Cr, and Ti. The average chemical structure formula of the gem-garnet is (Mn0.022 Ca0.455, Fe(2+)0.720, Mg1.793) sigma = 2.990 (Ti0.003 Cr0.009 Fe(3+)0.062 Al1.951) sigma = 2.025 (SiO4)3. Roman spectrum analysis suggests that there are mixed-phases in the garnet, which can be shown by the Roman shift which is caused by bridging oxygen vibration of garnet. The Roman shifts of bridging oxygen bending vibration of pyrope are at 560 cm(-1) (A(1g)), and 641 cm(-1) (E(g) + F(2g)), while the Roman shifts of bridging oxygen bending vibration caused by E(g) + F(2g) of almandine and grossular are at 507 and 486 cm(-1). IR functional group area indicates that the pyropes have no molecules water, but seldom pyropes have a little structure water, which forms three stepped weak absorption peaks at 3 585, 3 566 and 3 544 cm(-1) respectively. Most pyropes are brown-red, which is caused by electronic transitions of impurity ions Cr3+, Fe3+ and Mn2+. UV-Vis spectra show that absorption peaks caused by electron transition of Fe3+ are at 570, 521 and 502 nm, while absorption peaks caused by electron transition of Mn2+ are at 460 and 430 nm, and absorption peaks caused by electron transition of Cr3+ are at 690 and 367 nm.

[Mineralogical and spectral characteristics of copper pectolite].

Copper pectolite, a type of pectolite with blue stripes, is a rare gem material with a great market prospect. Mineralogy and genesis were investigated using X-ray diffraction (XRD), Fourier infrared absorption spectroscopy (FTIR), Raman spectroscopy (Raman), scanning electron microscopes (SEM) and ultraviolet-visible spectrometer(UV-VIS) to understand the mineralogical compositions and characteristics of the parts with different color. XRD, FTIR and Raman result showed that copper pectolite is composed of pectolite and minor calcite, consistent with the result of SEM. FTIR showed that an obvious band at 1 500 cm(-1) with 883 and 710 cm(-1) occurred on the white part that contain minor calcite, while the band was absent on the blue part. UV-Vis absorption spectroscopy analysis showed that the blue part has 640 nm absorption band in the UV area that indicates containing elements Cu. The different mineralogical compositions of the white and blue part indicate their different geological conditions.

[Infrared and Raman spectra study on Tianhuang].

The Tianhuang stones, from Shoushan in China, were studied by using X-ray powder diffractometry (XRD), infrared (IR) spectroscopy and Raman spectroscopy to obtain the spectra characterization. Wave numbers 3621, 3629 and 3631 cm(-1) in the IR spectra and 3626, 3627 and 3632 cm(-1) in the Raman spectra are the characteristic peaks of dickitic Tianhuang, nacritic Tianhuang and illitic Tianhuang, respectively. Raman spectra assigned to OH are in good agreement with the IR results at 3550 -3750 cm(-1). Dickitic Tianhuang includes ordered dickite and disordered dickite. Compared with ordered dickite, the band assigned to OH3 of disordered dickite shifts to low-frequency by 8 cm(-1) and the relative intensity becomes stronger. The disorder structure may relate to the high level of Fe. The IR absorption spectra of nacritic Tianhuang superimposes strong peaks of dickite, indicating that IR absorption bands of dickite are stronger than that of nacrite at 3550-3750 cm(-1). The main mineral composition of illitic Tianhuang is 2M(1), while illite Tianhuang contains a small amount of 1M. All these characters provide a theoretical basis for the scientific identification of Tianhuang.

Phase transition of Mg3(PO4)2 polymorphs at high-temperature: In-situ synchrotron X-ray diffraction and Raman spectroscopic study.

In-situ synchrotron X-ray diffraction and Raman spectroscopy were used to study the stabilities, thermal expansion and vibrational modes of synthetic Mg3(PO4)2. The polymorphs (Mg3(PO4)2-I, II, III) were investigated in the temperature range of 299 âˆ¼ 1173 K at ambient pressure. An irreversible phase transition was observed for both Mg3(PO4)2-II and Mg3(PO4)2-III, whereas Mg3(PO4)2-I is stable in the present study. Based on the in-situ synchrotron X-ray diffraction and Raman spectroscopic measurements, Mg3(PO4)2-II and Mg3(PO4)2-III transform to Mg3(PO4)2-I at 1073 K and 1023 K, respectively. The volumetric thermal expansion coefficients of Mg3(PO4)2-I, II and III were determined as 3.31(4) × 10-5 K-1, 3.91(4) × 10-5 K-1, and 3.25(5) × 10-5 K-1, respectively. All three Mg3(PO4)2 polymorphs show axial thermal expansive anisotropy since the thermal expansion coefficients along different axes are inconsistent. The effect of temperature on the Raman vibrations of the three Mg3(PO4)2 polymorphs was quantitatively analyzed. And the isobaric mode Grüneisen parameters of three Mg3(PO4)2 polymorphs are calculated, which are in the range of 0.07 âˆ¼ 3.54.

Data for photoluminescence spectra of natural Cr3+-doped MgAl2O4 spinel during order-disorder transition.

Photoluminescence (PL) spectra of natural Cr3+ doped MgAl2O4 spinel from Tanzania were taken during its order-disorder transition (ODT) process. Samples were changed their disordered degree by quenching treatment. PL spectra were taken at the liquid nitrogen (LN) temperature (∼77 K) using a 532 nm laser excitation. Spectra from different states were compared with each other and R-line and N-line ratio was used to illustrate the disordered degree of spinel during ODT process. It can be used as a reference for other similar researches, such as spinel PL characterization of the other members of this group, ordered degree of synthetic spinel single crystal or ceramics materials, thermal history of spinel, and non-destructive identification of natural and heated spinel gemstones, spinel original distinguishing, further PL spectra analysis and XRD relationship research.

Distance makes a difference in crystalline photoluminescence.

Crystallization-induced photoluminescence weakening was recently revealed in ultrasmall metal nanoparticles. However, the fundamentals of the phenomenon are not understood yet. By obtaining conformational isomer crystals of gold nanoclusters, we investigate crystallization-induced photoluminescence weakening and reveal that the shortening of interparticle distance decreases photoluminescence, which is further supported by high-pressure photoluminescence experiments. To interpret this, we propose a distance-dependent non-radiative transfer model of excitation electrons and support it with additional theoretical and experimental results. This model can also explain both aggregation-induced quenching and aggregation-induced emission phenomena. This work improves our understanding of aggregated-state photoluminescence, contributes to the concept of conformational isomerism in nanoclusters, and demonstrates the utility of high pressure studies in nanochemistry.