Borates or phosphates? That is the question

[EN] Chemical nomenclature is perceived to be a closed topic. However, this work shows that the identification of polyanionic groups is still ambiguous and so is the nomenclature for some ternary compounds. Two examples, boron phosphate (BPO4) and boron arsenate (BAsO4), which were assigned to the large phosphate and arsenate families, respectively, nearly a century ago, are explored. The analyses show that these two compounds should be renamed phosphorus borate (PBO4) and arsenic borate (AsBO4). Beyond epistemology, this has pleasing consequences at several levels for the predictive character of chemistry. It paves the way for future work on the possible syntheses of SbBO4 and BiBO4, and it also renders previous structure field maps completely predictive, allowing us to foresee the structure and phase transitions of NbBO4 and TaBO4. Overall, this work demonstrates that quantum mechanics calculations can contribute to the improvement of current chemical nomenclature. Such revisitation is necessary to classify compounds and understand their properties, leading to the main final aim of a chemist: predicting new compounds, their structures and their transformations.This research was partially supported by Spanish MINECO (grant Nos. MAT2015-71070-REDC and MAT2016-75586-C4-2-P, and MALTA Consolider Team RED2018-102612-T) and Generalitat Valenciana (grant No. PROMETEO/2018/123-EFIMAT). J. Contreras-Garci ' a thanks CALSIMLAB (public grant No. ANR-11-LABX-0037-01), overseen by the French National Research Agency (ANR) as part of the Investissements d'Avenir program (grant No. ANR-11-IDEX-0004-02). M. Marque ' s acknowledges support from the ERC grant `Hecate' and computational resources provided by the UKCP consortium under EPSRC grant EP/P022561/1.Contreras-García, J.; Izquierdo-Ruiz, F.; Marqués, M.; Manjón, F. (2020). Borates or phosphates? That is the question. 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Negative pressures in CaWO4 nanocrystals

Tetragonal scheelite-type CaWO4 nanocrystals recently prepared by a hydrothermal method show an enhancement of its structural symmetry with the decrease in nanocrystal size. The analysis of the volume dependence of the structural parameters in CaWO4 nanocrystals with the help of ab initio total-energy calculations shows that the enhancement of the symmetry in the scheelite-type nanocrystals is a consequence of the negative pressure exerted on the nanocrystals; i.e., the nanocrystals are under tension. Besides, the behavior of the structural parameters in CaWO4 nanocrystals for sizes below 10 nm suggests an onset of a scheelite-to-zircon phase transformation in good agreement with the predictions from our ab initio calculations. CaWO4 nanocrystals exhibit a reconstructive-type mechanism for the scheelite-to-zircon phase transition that seems to follow the tetragonal path that links both structures. This result is in contrast with the mechanism recently proposed for this transition in bulk ZrSiO4 where the transition goes through an intermediate monoclinic [email protected]

High-pressure optical absorption in InN: Electron density dependence in the wurtzite phase and reevaluation of the indirect band gap of rocksalt InN

We report on high-pressure optical absorption measurements on InN epilayers with a range of free-electron concentrations (5×1017–1.6×1019 cm−3) to investigate the effect of free carriers on the pressure coefficient of the optical band gap of wurtzite InN. With increasing carrier concentration, we observe a decrease of the absolute value of the optical band gap pressure coefficient of wurtzite InN. An analysis of our data based on the k·p model allows us to obtain a pressure coefficient of 32 meV/GPa for the fundamental band gap of intrinsic wurtzite InN. Optical absorption measurements on a 5.7-μm-thick InN epilayer at pressures above the wurtzite-to-rocksalt transition have allowed us to obtain an accurate determination of the indirect band gap energy of rocksalt InN as a function of pressure. Around the phase transition (∼15 GPa), a band gap value of 0.7 eV and a pressure coefficient of ∼23 meV/GPa are obtained. ©2012 American Physical SocietyThis work was supported by the Spanish Ministry of Science and Innovation through Project No. MAT2010-16116.Ibáñez, J.; Segura, A.; García-Domene, B.; Oliva, R.; Manjón Herrera, FJ.; Yamaguchi, T.; Nanishi, Y.... (2012). High-pressure optical absorption in InN: Electron density dependence in the wurtzite phase and reevaluation of the indirect band gap of rocksalt InN. Physical Review B. 86:35210-1-35210-5. https://doi.org/10.1103/PhysRevB.86.035210S35210-135210-586Wu, J. (2009). When group-III nitrides go infrared: New properties and perspectives. Journal of Applied Physics, 106(1), 011101. doi:10.1063/1.3155798Ueno, M., Yoshida, M., Onodera, A., Shimomura, O., & Takemura, K. (1994). Stability of the wurtzite-type structure under high pressure: GaN and InN. Physical Review B, 49(1), 14-21. doi:10.1103/physrevb.49.14Uehara, S., Masamoto, T., Onodera, A., Ueno, M., Shimomura, O., & Takemura, K. (1997). Equation of state of the rocksalt phase of III–V nitrides to 72 GPa or higher. Journal of Physics and Chemistry of Solids, 58(12), 2093-2099. doi:10.1016/s0022-3697(97)00150-9Pinquier, C., Demangeot, F., Frandon, J., Chervin, J.-C., Polian, A., Couzinet, B., … Maleyre, B. (2006). Raman scattering study of wurtzite and rocksalt InN under high pressure. Physical Review B, 73(11). doi:10.1103/physrevb.73.115211Ibáñez, J., Manjón, F. J., Segura, A., Oliva, R., Cuscó, R., Vilaplana, R., … Artús, L. (2011). High-pressure Raman scattering in wurtzite indium nitride. Applied Physics Letters, 99(1), 011908. doi:10.1063/1.3609327Li, S. X., Wu, J., Haller, E. E., Walukiewicz, W., Shan, W., Lu, H., & Schaff, W. J. (2003). Hydrostatic pressure dependence of the fundamental bandgap of InN and In-rich group III nitride alloys. Applied Physics Letters, 83(24), 4963-4965. doi:10.1063/1.1633681Franssen, G., Gorczyca, I., Suski, T., Kamińska, A., Pereiro, J., Muñoz, E., … Svane, A. (2008). Bowing of the band gap pressure coefficient in InxGa1−xN alloys. Journal of Applied Physics, 103(3), 033514. doi:10.1063/1.2837072Kamińska, A., Franssen, G., Suski, T., Gorczyca, I., Christensen, N. E., Svane, A., … Georgakilas, A. (2007). Role of conduction-band filling in the dependence of InN photoluminescence on hydrostatic pressure. Physical Review B, 76(7). doi:10.1103/physrevb.76.075203Shan, W., Walukiewicz, W., Haller, E. E., Little, B. D., Song, J. J., McCluskey, M. D., … Stall, R. A. (1998). Optical properties of InxGa1−xN alloys grown by metalorganic chemical vapor deposition. Journal of Applied Physics, 84(8), 4452-4458. doi:10.1063/1.368669Millot, M., Geballe, Z. M., Yu, K. M., Walukiewicz, W., & Jeanloz, R. (2012). Red-green luminescence in indium gallium nitride alloys investigated by high pressure optical spectroscopy. Applied Physics Letters, 100(16), 162103. doi:10.1063/1.4704367Franssen, G., Suski, T., Perlin, P., Teisseyre, H., Khachapuridze, A., Dmowski, L. H., … Schaff, W. (2006). Band-to-band character of photoluminescence from InN and In-rich InGaN revealed by hydrostatic pressure studies. Applied Physics Letters, 89(12), 121915. doi:10.1063/1.2356994Ibáñez, J., Segura, A., Manjón, F. J., Artús, L., Yamaguchi, T., & Nanishi, Y. (2010). Electronic structure of wurtzite and rocksalt InN investigated by optical absorption under hydrostatic pressure. Applied Physics Letters, 96(20), 201903. doi:10.1063/1.3431291Cuscó, R., Ibáñez, J., Alarcón-Lladó, E., Artús, L., Yamaguchi, T., & Nanishi, Y. (2009). Raman scattering study of the long-wavelength longitudinal-optical-phonon–plasmon coupled modes in high-mobility InN layers. Physical Review B, 79(15). doi:10.1103/physrevb.79.155210Cuscó, R., Alarcón-Lladó, E., Ibáñez, J., Yamaguchi, T., Nanishi, Y., & Artús, L. (2009). Raman scattering study of background electron density in InN: a hydrodynamical approach to the LO-phonon–plasmon coupled modes. Journal of Physics: Condensed Matter, 21(41), 415801. doi:10.1088/0953-8984/21/41/415801Syassen, K. (2008). Ruby under pressure. High Pressure Research, 28(2), 75-126. doi:10.1080/08957950802235640Wu, J., Walukiewicz, W., Shan, W., Yu, K. M., Ager, J. W., Li, S. X., … Schaff, W. J. (2003). Temperature dependence of the fundamental band gap of InN. Journal of Applied Physics, 94(7), 4457-4460. doi:10.1063/1.1605815Wu, J., Walukiewicz, W., Li, S. X., Armitage, R., Ho, J. C., Weber, E. R., … Jakiela, R. (2004). Effects of electron concentration on the optical absorption edge of InN. Applied Physics Letters, 84(15), 2805-2807. doi:10.1063/1.1704853Wu, J., Walukiewicz, W., Shan, W., Yu, K. M., Ager, J. W., Haller, E. E., … Schaff, W. J. (2002). Effects of the narrow band gap on the properties of InN. Physical Review B, 66(20). doi:10.1103/physrevb.66.201403Rinke, P., Winkelnkemper, M., Qteish, A., Bimberg, D., Neugebauer, J., & Scheffler, M. (2008). Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN. Physical Review B, 77(7). doi:10.1103/physrevb.77.075202Furthmüller, J., Hahn, P. H., Fuchs, F., & Bechstedt, F. (2005). Band structures and optical spectra of InN polymorphs: Influence of quasiparticle and excitonic effects. Physical Review B, 72(20). doi:10.1103/physrevb.72.205106Serrano, J., Rubio, A., Hernández, E., Muñoz, A., & Mujica, A. (2000). Theoretical study of the relative stability of structural phases in group-III nitrides at high pressures. Physical Review B, 62(24), 16612-16623. doi:10.1103/physrevb.62.16612Christensen, N. E., & Gorczyca, I. (1994). Optical and structural properties of III-V nitrides under pressure. Physical Review B, 50(7), 4397-4415. doi:10.1103/physrevb.50.4397Duan, M.-Y., He, L., Xu, M., Xu, M.-Y., Xu, S., & Ostrikov, K. (Ken). (2010). Structural, electronic, and optical properties of wurtzite and rocksalt InN under pressure. Physical Review B, 81(3). doi:10.1103/physrevb.81.03310

Pressure effects on the vibrational properties of alpha-Bi2O3: an experimental and theoretical study

We report an experimental and theoretical high-pressure study of the vibrational properties of synthetic monoclinic bismuth oxide (alpha-Bi2O3), also known as mineral bismite. The comparison of Raman scattering measurements and theoretical lattice-dynamics ab initio calculations is key to understanding the complex vibrational properties of bismite. On one hand, calculations help in the symmetry assignment of phonons and to discover the phonon interactions taking place in this low-symmetry compound, which shows considerable phonon anticrossings; and, on the other hand, measurements help to validate the accuracy of first-principles calculations relating to this compound. We have also studied the pressure-induced amorphization (PIA) of synthetic bismite occurring around 20 GPa and showed that it is reversible below 25 GPa. Furthermore, a partial temperature-induced recrystallization (TIR) of the amorphous sample can be observed above 20 GPa upon heating to 200 C, thus evidencing that PIA at room temperature occurs because of the inability of the a phase to undergo a phase transition to a high-pressure phase. Raman scattering measurements of the TIR sample at room temperature during pressure release have been performed. The interpretation of these results in the light of ab initio calculations of the candidate phases at high pressures has allowed us to tentatively attribute the TIR phase to the recently found high-pressure hexagonal HPC phase and to discuss its lattice dynamics.This work has been supported by Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) under project 201050/2012-9, by Ministerio de Ciencia e Innovacion of Spain (MICINN) under the National Program of Materials (MAT2010-21270-C04-03/04) and the Consolider-Ingenio 2010 Program (MALTA CSD2007-0045) and by Generalitat Valenciana through projects GVA-ACOMP-2013-012 and Prometeo 2009/053.Pereira, ALJ.; Gomis, O.; Sans, JA.; Pellicer-Porres, J.; Manjón Herrera, FJ.; Beltran, A.; Rodríguez-Hernández, P.... (2014). Pressure effects on the vibrational properties of alpha-Bi2O3: an experimental and theoretical study. Journal of Physics: Condensed Matter. 26(22):225401-1-225401-15. https://doi.org/10.1088/0953-8984/26/22/225401S225401-1225401-15262

High-pressure study of ScVO4 by Raman scattering and ab initio calculations

We report results of experimental and theoretical lattice-dynamics studies on scandium orthovanadate up to 35 GPa. Raman-active modes of the low-pressure zircon phase are measured up to 8.2 GPa, where the onset of an irreversible zircon-to-scheelite phase transition is detected. Raman-active modes in the scheelite structure are observed up to 16.5 GPa. Beyond 18.2 GPa we detected a gradual splitting of the Eg modes of the scheelite phase, indicating the onset of a second phase transition. Raman symmetries, frequencies, and pressure coefficients in the three phases of ScVO4 are discussed in the light of ab initio lattice-dynamics calculations that support the experimental results. The results on all the three phases of ScVO4 are compared with those previously reported for related orthovanadates.We acknowledge the financial support of the Spanish MCYT under Grants No. MAT2007-65990-C03-01/03, No. MAT2010-21270-C04-01/03/04, and No. CSD2007-00045, and the computation time provided by the Red Espanola de Supercomputacion and the supercomputer Atlante. F.J.M. acknowledges also financial support from "Vicerrectorado de Innovacion y Desarrollo de la UPV" (No. PAID-05-2009 through Project No. UPV2010-0096). Some of the authors are members of the MALTA Consolider Team.Panchal, V.; Manjón Herrera, FJ.; Errandonea, D.; Rodriguez-Hernandez, P.; López-Solano, J.; Muñoz, A.; Achary, S.... (2011). High-pressure study of ScVO4 by Raman scattering and ab initio calculations. Physical Review B. 83(6):641111-1-64111-10. https://doi.org/10.1103/PhysRevB.83.064111S641111-164111-10836Shafi, S. P., Kotyk, M. W., Cranswick, L. M. D., Michaelis, V. K., Kroeker, S., & Bieringer, M. 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High-pressure x-ray diffraction study of bulk and nanocrystalline PbMoO4. Journal of Applied Physics, 108(7), 073518. doi:10.1063/1.3493048Errandonea, D., Santamaria-Perez, D., Bondarenko, T., & Khyzhun, O. (2010). New high-pressure phase of HfTiO4 and ZrTiO4 ceramics. Materials Research Bulletin, 45(11), 1732-1735. doi:10.1016/j.materresbull.2010.06.061Marqués, M., Flórez, M., Recio, J. M., Gerward, L., & Olsen, J. S. (2006). Structure and stability ofZrSiO4under hydrostatic pressure. Physical Review B, 74(1). doi:10.1103/physrevb.74.014104Lacomba-Perales, R., Errandonea, D., Meng, Y., & Bettinelli, M. (2010). High-pressure stability and compressibility ofAPO4(A=La, Nd, Eu, Gd, Er, and Y) orthophosphates: An x-ray diffraction study using synchrotron radiation. Physical Review B, 81(6). doi:10.1103/physrevb.81.064113Long, Y. W., Zhang, W. W., Yang, L. X., Yu, Y., Yu, R. C., Ding, S., … Jin, C. Q. (2005). 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High-pressure Raman scattering in wurtzite indium nitride

Copyright (2011) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.We perform Raman-scattering measurements at high hydrostatic pressures on c-face and a-face InN layers to investigate the high-pressure behavior of the zone-center optical phonons of wurtzite InN. Linear pressure coefficients and mode Grneisen parameters are obtained, and the experimental results are compared with theoretical values obtained from ab initio lattice-dynamical calculations. Good agreement is found between the experimental and calculated results. © 2011 American Institute of Physics.Work supported by the Spanish MICINN (Projects MAT2010-16116, MAT2008-06873-C02-02, MAT2010-21270-C04-04, and CSD2007-00045), the Catalan Government (BE-DG 2009), and the Spanish Council for Research (PIE2009-CSIC).Ibanez, J.; Manjón Herrera, FJ.; Segura, A.; Oliva, R.; Cusco, R.; Vilaplana Cerda, RI.; Yamaguchi, T.... (2011). High-pressure Raman scattering in wurtzite indium nitride. Applied Physics Letters. 99:119081-119083. https://doi.org/10.1063/1.3609327S11908111908399Veal, T., McConville, C., & Schaff, W. (Eds.). (2009). Indium Nitride and Related Alloys. doi:10.1201/9781420078107Gallinat, C. S., Koblmüller, G., Brown, J. S., Bernardis, S., Speck, J. S., Chern, G. D., … Wraback, M. (2006). In-polar InN grown by plasma-assisted molecular beam epitaxy. Applied Physics Letters, 89(3), 032109. doi:10.1063/1.2234274Li, S. X., Wu, J., Haller, E. E., Walukiewicz, W., Shan, W., Lu, H., & Schaff, W. J. (2003). Hydrostatic pressure dependence of the fundamental bandgap of InN and In-rich group III nitride alloys. Applied Physics Letters, 83(24), 4963-4965. doi:10.1063/1.1633681Gorczyca, I., Plesiewicz, J., Dmowski, L., Suski, T., Christensen, N. E., Svane, A., … Speck, J. S. (2008). Electronic structure and effective masses of InN under pressure. Journal of Applied Physics, 104(1), 013704. doi:10.1063/1.2953094Domènech-Amador, N., Cuscó, R., Artús, L., Yamaguchi, T., & Nanishi, Y. (2011). Raman scattering study of anharmonic phonon decay in InN. Physical Review B, 83(24). doi:10.1103/physrevb.83.245203Serrano, J., Bosak, A., Krisch, M., Manjón, F. J., Romero, A. H., Garro, N., … Kuball, M. (2011). InN Thin Film Lattice Dynamics by Grazing Incidence Inelastic X-Ray Scattering. Physical Review Letters, 106(20). doi:10.1103/physrevlett.106.205501Pinquier, C., Demangeot, F., Frandon, J., Pomeroy, J. W., Kuball, M., Hubel, H., … Gil, B. (2004). Raman scattering in hexagonal InN under high pressure. Physical Review B, 70(11). doi:10.1103/physrevb.70.113202Pinquier, C., Demangeot, F., Frandon, J., Chervin, J.-C., Polian, A., Couzinet, B., … Maleyre, B. (2006). Raman scattering study of wurtzite and rocksalt InN under high pressure. Physical Review B, 73(11). doi:10.1103/physrevb.73.115211Yao, L. D., Luo, S. D., Shen, X., You, S. J., Yang, L. X., Zhang, S. J., … Xie, S. S. (2010). Structural stability and Raman scattering of InN nanowires under high pressure. Journal of Materials Research, 25(12), 2330-2335. doi:10.1557/jmr.2010.0290Cuscó, R., Ibáñez, J., Alarcón-Lladó, E., Artús, L., Yamaguchi, T., & Nanishi, Y. (2009). Raman scattering study of the long-wavelength longitudinal-optical-phonon–plasmon coupled modes in high-mobility InN layers. Physical Review B, 79(15). doi:10.1103/physrevb.79.155210Wagner, J.-M., & Bechstedt, F. (2003). First-principles study of phonon-mode softening under pressure: the case of GaN and AlN. physica status solidi (b), 235(2), 464-469. doi:10.1002/pssb.200301603Weinstein, B. A. (1977). Phonon dispersion of zinc chalcogenides under extreme pressure and the metallic transformation. Solid State Communications, 24(9), 595-598. doi:10.1016/0038-1098(77)90369-6Yakovenko, E. V., Gauthier, M., & Polian, A. (2004). High-pressure behavior of the bond-bending mode of AIN. Journal of Experimental and Theoretical Physics, 98(5), 981-985. doi:10.1134/1.1767565Reparaz, J. S., Muniz, L. R., Wagner, M. R., Goñi, A. R., Alonso, M. I., Hoffmann, A., & Meyer, B. K. (2010). Reduction of the transverse effective charge of optical phonons in ZnO under pressure. Applied Physics Letters, 96(23), 231906. doi:10.1063/1.3447798Perlin, P., Jauberthie-Carillon, C., Itie, J. P., San Miguel, A., Grzegory, I., & Polian, A. (1992). Raman scattering and x-ray-absorption spectroscopy in gallium nitride under high pressure. Physical Review B, 45(1), 83-89. doi:10.1103/physrevb.45.83Manjón, F. J., Errandonea, D., Romero, A. H., Garro, N., Serrano, J., & Kuball, M. (2008). Lattice dynamics of wurtzite and rocksalt AlN under high pressure: Effect of compression on the crystal anisotropy of wurtzite-type semiconductors. Physical Review B, 77(20). doi:10.1103/physrevb.77.205204Jephcoat, A. P., Hemley, R. J., Mao, H. K., Cohen, R. E., & Mehl, M. J. (1988). Raman spectroscopy and theoretical modeling of BeO at high pressure. Physical Review B, 37(9), 4727-4734. doi:10.1103/physrevb.37.4727Ibáñez, J., Segura, A., Manjón, F. J., Artús, L., Yamaguchi, T., & Nanishi, Y. (2010). Electronic structure of wurtzite and rocksalt InN investigated by optical absorption under hydrostatic pressure. Applied Physics Letters, 96(20), 201903. doi:10.1063/1.3431291Goñi, A. R., Siegle, H., Syassen, K., Thomsen, C., & Wagner, J.-M. (2001). Effect of pressure on optical phonon modes and transverse effective charges inGaNandAlN. Physical Review B, 64(3). doi:10.1103/physrevb.64.03520

Structural and vibrational study of cubic Sb2O3 under high pressure

We report an experimental and theoretical study of antimony oxide (Sb 2O 3) in its cubic phase (senarmontite) under high pressure. X-ray diffraction and Raman scattering measurements up to 18 and 25 GPa, respectively, have been complemented with ab initio total-energy and lattice-dynamics calculations. X-ray diffraction measurements do not provide evidence of a space-group symmetry change in senarmontite up to 18 GPa. However, Raman scattering measurements evidence changes in the pressure coefficients of the Raman mode frequencies at 3.5 and 10 GPa, respectively. The behavior of the Raman modes with increasing pressure up to 25 GPa is fully reproduced by the lattice-dynamics calculations in cubic Sb 2O 3. Therefore, the combined analysis of both experiments and lattice-dynamics calculations suggest the occurrence of two isostructural phase transformations at 3.5 and 10 GPa, respectively. Total-energy calculations show that the isostructural phase transformations occur through local atomic displacements in which senarmontite loses its molecular character to become a three-dimensional solid. In addition, our calculations provide evidence that cubic senarmontite cannot undergo a phase transition to orthorhombic valentinite at high pressure, and that a phase transition to a ß-Bi 2O 3-type structure is possible above 25 GPa. © 2012 American Physical Society.Financial support from the Spanish Consolider Ingenio 2010 Program (Project No. CDS2007-00045) is acknowledged. The work was also supported by Spanish MICCIN under Projects No. CTQ2009-14596-C02-01 and No. MAT2010-21270-C04-01/04 as well as from Comunidad de Madrid and European Social Fund, S2009/PPQ-1551 4161893 (QUIMAPRES) and from Vicerrectorado de Investigacion de la Universitat Politecnica de Valencia under projects UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11. Spanish Fundacio Bancaixa Project No. P1-1A2009-08 and Brazilian Capes/Fundacion Carolina (BEX 3939/10-3) are also acknowledged.Pereira, ALJ.; Gracia, L.; Santamaría-Pérez, D.; Vilaplana Cerda, RI.; Manjón Herrera, FJ.; Errandonea, D.; Nalin, M.... (2012). Structural and vibrational study of cubic Sb2O3 under high pressure. Physical Review B. 85(17):174108-1-174108-11. https://doi.org/10.1103/PhysRevB.85.174108S174108-1174108-118517Youk, J. H., Kambour, R. P., & MacKnight, W. J. (2000). Polymerization of Ethylene Terephthalate Cyclic Oligomers with Antimony Trioxide†. Macromolecules, 33(10), 3594-3599. doi:10.1021/ma991838dZabinski, J. S., Donley, M. S., & McDevitt, N. T. (1993). Mechanistic study of the synergism between Sb2O3 and MoS2 lubricant systems using Raman spectroscopy. Wear, 165(1), 103-108. doi:10.1016/0043-1648(93)90378-yGhosh, A., & Chakravorty, D. (1991). Transport properties of semiconducting CuO-Sb2O3-P2O5glasses. Journal of Physics: Condensed Matter, 3(19), 3335-3342. doi:10.1088/0953-8984/3/19/012Gopalakrishnan, P. S., & Manohar, H. (1975). Kinetics and mechanism of the transformation in antimony trioxide from orthorhombic valentinite to cubic senarmontite. Journal of Solid State Chemistry, 15(1), 61-67. doi:10.1016/0022-4596(75)90271-6Zachariasen, W. H. (1932). THE ATOMIC ARRANGEMENT IN GLASS. Journal of the American Chemical Society, 54(10), 3841-3851. doi:10.1021/ja01349a006Matsumoto, A., Koyama, Y., Togo, A., Choi, M., & Tanaka, I. (2011). Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3crystal polymorphs. Physical Review B, 83(21). doi:10.1103/physrevb.83.214110Miller, P. J., & Cody, C. A. (1982). Infrared and Raman investigation of vitreous antimony trioxide. Spectrochimica Acta Part A: Molecular Spectroscopy, 38(5), 555-559. doi:10.1016/0584-8539(82)80146-3Svensson, C. (1975). Refinement of the crystal structure of cubic antimony trioxide, Sb2O3. 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Room-temperature vibrational properties of multiferroic MnWO4 under quasi-hydrostatic compression up to 39 GPa

The multiferroic manganese tungstate (MnWO4) has been studied by high-pressure Raman spectroscopy at room temperature under quasi-hydrostatic conditions up to 39.3 GPa. The low-pressure wolframite phase undergoes a phase transition at 25.7 GPa, a pressure around 8 GPa higher than that found in previous works, which used less hydrostatic pressure-transmitting media. The pressure dependence of the Raman active modes of both the low-and high-pressure phases is reported and discussed comparing with the results available in the literature for MnWO4 and related wolframites. A gradual pressure-induced phase transition from the low-to the high-pressure phase is suggested on the basis of the linear intensity decrease of the Raman mode with the lowest frequency up to the end of the phase transition. (C) 2014 AIP Publishing LLC.This work has been supported by the Spanish government under Grant No. MAT2010-21270-C04-01/04, by MALTA Consolider Ingenio 2010 Project (CSD2007-00045), by Generalitat Valenciana (GVA-ACOMP-2013-1012), and by the Vicerrectorado de Investigacion y Desarrollo of the Universidad Politecnica de Valencia (UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). We thank Professor Gospodinov, Institute of Scintillating Materials in Ukraine, for providing us high-quality MnWO4 single crystals. J.R.-F. thanks the Alexander von Humboldt Foundation for a postdoctoral fellowship. A. F. acknowledges support from the Germany Research foundation within the priority program SPP1236 (Project No. FR-2491/2-1). The use of the SPP1236 central facility in Frankfurt is acknowledged.Ruiz-Fuertes, J.; Errandonea, D.; Gomis Hilario, O.; Friedrich, A.; Manjón Herrera, FJ. (2014). 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