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

Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph

The following article appeared in Journal of Applied Physics and may be found at http://dx.doi.org/10.1063/1.4914407 . Authors own version of final article on e-print serversWe have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different polymorphs: trigonal (phase I) and monoclinic (phases II and III). Phases I and III, at low pressure (P < 0.2-0.8 GPa), transform into phase II, which has a monazite-type structure. At room temperature, this polymorph is stable up to 31.5 GPa. Calculations support these findings and predict the occurrence of an additional transition from the monoclinic monazite-type to a tetragonal scheelite-type structure (phase IV). This transition was experimentally found after the simultaneous application of pressure (28 GPa) and temperature (1500 K), suggesting that at room temperature the transition might by hindered by kinetic barriers. Calculations also predict an additional phase transition at 52 GPa, which exceeds the maximum pressure achieved in the experiments. This transition is from phase IV to an orthorhombic barite-type structure (phase V). We also studied the axial and bulk compressibility of BiPO4. Room-temperature pressure-volume equations of state are reported. BiPO4 was found to be more compressible than isomorphic rare-earth phosphates. The discovered phase IV was determined to be the less compressible polymorph of BiPO4. On the other hand, the theoretically predicted phase V has a bulk modulus comparable with that of monazite-type BiPO4. Finally, the isothermal compressibility tensor for the monazite-type structure is reported at 2.4 GPa showing that the direction of maximum compressibility is in the (0 1 0) plane at approximately 15 degrees (21 degrees) to the a axis for the case of our experimental (theoretical) study. (C) 2015 AIP Publishing LLC.Research supported by the Spanish government MINECO under Grant No: MAT2013-46649-C4-1/2/3-P and by Generalitat Valenciana under Grants Nos. GVA-ACOMP-2013-1012 and GVA-ACOMP/2014/243. B.G.-D. thanks the financial support from MEC through FPI program. Experiments were performed at MSPD beamline at ALBA Synchrotron Light Facility with the collaboration of ALBA staff.Errandonea, D.; Gomis, O.; Santamaría Pérez, D.; García-Domene, B.; Muñoz, A.; Rodríguez-Hernández, P.; Achary, SN.... (2015). Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph. Journal of Applied Physics. 117:105902-1-105902-9. https://doi.org/10.1063/1.4914407S105902-1105902-911

Structural and Vibrational Properties of Corundum-type In2O3 Nanocrystals under Compression

This work reports the structural and vibrational properties of nanocrystals of corundum-type In2O3 (rh-In2O3) at high pressures by using angle-dispersive x-ray diffraction and Raman scattering measurements up to 30 GPa. The equation of state and the pressure dependence of the Raman-active modes of the corundum phase in nanocrystals are in good agreement with previous studies on bulk material and compare nicely with theoretical simulations on bulk rh-In2O3. Nanocrystalline rh-In2O3 showed stability under compression at least up to 20 GPa, unlike bulk rh-In2O3 which gradually transforms to the orthorhombic Pbca (Rh2O3-III-type) structure above 12-14 GPa. The different stability range found in nanocrystalline and bulk In2O3 is discussed

Affinity for the Interface Underpins Potency of Antibodies Operating In Membrane Environments

The contribution of membrane interfacial interactions to recognition of membrane-embedded antigens by antibodies is currently unclear. This report demonstrates the optimization of this type of antibodies via chemical modification of regions near the membrane but not directly involved in the recognition of the epitope. Using the HIV-1 antibody 10E8 as a model, linear and polycyclic synthetic aromatic compounds are introduced at selected sites. Molecular dynamics simulations predict the favorable interactions of these synthetic compounds with the viral lipid membrane, where the epitope of the HIV-1 glycoprotein Env is located. Chemical modification of 10E8 with aromatic acetamides facilitates the productive and specific recognition of the native antigen, partially buried in the crowded environment of the viral membrane, resulting in a dramatic increase of its capacity to block viral infection. These observations support the harnessing of interfacial affinity through site-selective chemical modification to optimize the function of antibodies that target membrane-proximal epitopes.We are grateful to Professor Ueda (Kyushu University) for valuable advice. C.D. acknowledges RES (Red Espanola de Supercomputacio ' n) for providing computational resources. S.I. received a pre-doctoral fellowship from the Basque Government. P.C. acknowledges a research associate contract from the University of the Basque Country (DOCREC18/01) and a postdoctoral fellowship from the Basque Government (POS_2018_1_0066).This study was supported by the following grants: European Commission (790012 SI H2020MSCA-IF-2017 to E.R., J.-P.J., and J.L.N.); US NIAID (NIH) (R01 AI143563 to M.B.Z.); James B. Pendleton Charitable Trust (to M.B.Z.); Grant-in-Aid for Scientific Research on Innovative Areas "Chemistry for Multimolecular Crowding Biosystems, JSPS KAKENHI (JP17H06349 to A.O.); JSPS KAKENHI (15K06962 and 20H03228 to J.M.M.C.); Spanish MINECO (BIO2015-64421R and MINECO/AEI/FEDER, UE to J.L.N.); Spanish MCIU (RTI2018-095624B-C21 and MCIU/AEI/FEDER, UE to J.L.N.); and the Basque Government (IT1196-19) (to J.L.N.). C.E. acknowledges funding from Medical Research Council (MC_UU_12010/unit programs G0902418 and MC_UU_12025), Wolfson Foundation, Deutsche Forschungsgemeinschaft (Research unit 1905, Excellence Cluster Balance of the Microverse, Collaborative Research Centre 1278 Polytarget), Wellcome Institutional Strategic Support Fund, Oxford internal funds (EPA Cephalosporin Fund and John Fell Fund), and support from the Micron Oxford Advanced Bioimaging Unit (Wellcome Trust funding 107457/Z/15/Z). This research was undertaken, in part, thanks to funding from the CIFAR Azrieli Global Scholar program (to J.-P.J.) and the Canada Research Chairs program (950-231604 to J.-P.J.). This work was also supported by the Platform Project for Supporting Drug Discovery and Life Science Research (Basis for Supporting Innovative Drug Discovery and Life Science Research [BINDS] from AMED JP19am0101091)

High-pressure structural and elastic properties of Tl2O3

The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl2O3 has been determined and compared to related compounds. It has been found experimentally that Tl2O3 remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we have studied theoretically the possible high-pressure phases of Tl2O3. Although a phase transition is theoretically predicted at 5.8 GPa to the orthorhombic Rh2O3-II-type structure and at 24.2 GPa to the orthorhombic alpha-Gd2S3-type structure, neither of these phases were observed experimentally, probably due to the hindrance of the pressure-driven phase transitions at room temperature. The theoretical study of the elastic behavior of the cubic bixbyite-type structure at high-pressure shows that amorphization above 22 GPa at room temperature might be caused by the mechanical instability of the cubic bixbyite-type structure which is theoretically predicted above 23.5 GPa. (C) 2014 AIP Publishing LLC.This study was supported by the Spanish government MEC under Grant Nos. MAT2010-21270-C04-01/03/04, MAT2013-46649-C4-1/2/3-P, and CTQ2009-14596-C02-01, by the Comunidad de Madrid and European Social Fund (S2009/PPQ-1551 4161893), by MALTA Consolider Ingenio 2010 project (CSD2007-00045), and by Generalitat Valenciana (GVA-ACOMP-2013-1012 and GVA-ACOMP-2014-243). We acknowledge Diamond Light Source for time on beamline I15 under proposal EE6517 and I15 beamline scientist for technical support. A.M. and P.R.-H. acknowledge computing time provided by Red Espanola de Supercomputacion (RES) and MALTA-Cluster. B.G.-D. and J.A.S. acknowledge financial support through the FPI program and Juan de la Cierva fellowship. J.R.-F. acknowledges the Alexander von Humboldt Foundation for a postdoctoral fellowship.Gomis, O.; Santamaría-Pérez, D.; Ruiz-Fuertes, J.; Sans, JA.; Vilaplana Cerda, RI.; Ortiz, HM.; García-Domene, B.... (2014). High-pressure structural and elastic properties of Tl2O3. 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Pbca-Type In2O3: the high-pressure post-corundum phase at room temperature

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/jp5061599High-pressure powder X-ray diffraction and Raman scattering measurements in cubic bixbyite-type indium oxide (c-In2O3) have been performed at room temperature. On increasing pressure c-In2O3 undergoes a transition to the Rh2O3-II structure but on decreasing pressure Rh2O3-II-type In2O3 undergoes a transition to a previously unknown phase with Pbca space group which is isostructural to Rh2O3-III. On further decrease of pressure, we observed a phase transition to the metastable corundum-type In2O3 near room conditions. Recompression of the metastable corundum-type In2O3 at room temperature leads to a transition to the Rh2O3-III phase, thus showing that the Rh2O3-III phase is the post-corundum phase at room temperature. Our results are supported by theoretical ab initio calculations. Furthermore, they show that the Rh2O3-III phase could be present in other sesquioxides, thus prompting to a revision of the pressure-temperature phase diagrams of sesquioxidesFinancial support by the Spanish MEC under Grant No. MAT2010-21270-C04-01/03/04, MAT2013-46649-C4-1/2/3-P, by MALTA Consolider Ingenio 2010 project (CSD2007-00045) and by Generalitat Valenciana (GVA-ACOMP-2013-012). Red Espanola de Supercomputacion (RES) and ALBA Synchrotron Light Source are also acknowledged. B.G.-D. and J.A.S. acknowledge financial support through the FPI program and Juan de la Cierva fellowship, respectively. We also thank J. L. Jorda for fruitful discussions. A.L.J.P. acknowledges financial support through Brazilian CNPq. A.S. expresses thanks to FEDER Grant UNLV10-3E-1253 for financial support.García-Domene, B.; Sans Tresserras, JÁ.; Gomis, O.; Manjón Herrera, FJ.; Ortiz, HM.; Errandonea, D.; Santamaría Pérez, D.... (2014). Pbca-Type In2O3: the high-pressure post-corundum phase at room temperature. Journal of Physical Chemistry C. 118(35):20545-20552. https://doi.org/10.1021/jp5061599S20545205521183

Structural study of alpha-Bi2O3 under pressure

An experimental and theoretical study of the structural properties of monoclinic bismuth oxide (alpha-(BiO3)-O-2) under high pressures is here reported. Both synthetic and mineral bismite powder samples have been compressed up to 45 GPa and their equations of state have been determined with angle-dispersive x-ray diffraction measurements. Experimental results have been also compared with theoretical calculations which suggest the possibility of several phase transitions below 10 GPa. However, experiments reveal only a pressure-induced amorphization between 15 and 25 GPa, depending on sample quality and deviatoric stresses. The amorphous phase has been followed up to 45 GPa and its nature discussed.Financial support from the Spanish Consolider Ingenio 2010 Program (MALTA Project No. CSD2007-00045) is acknowledged. This work was also supported by Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq) under project 201050/2012-9, Spanish MICINN under projects MAT2010-21270-C04-01/03/04, Spanish MINECO under project CTQ2012-36253-C03-02, by Generalitat Valenciana through project GVA-ACOMP2013- 012 and from Vicerrectorado de Investigaci on dePereira, ALJ.; Errandonea, D.; Beltrán, A.; Gracia, L.; Gomis Hilario, O.; Sans, JA.; García-Domene, B.... (2013). Structural study of alpha-Bi2O3 under pressure. Journal of Physics: Condensed Matter. 25(47):475402-1-475402-12. https://doi.org/10.1088/0953-8984/25/47/475402S475402-1475402-12254

High-pressure lattice dynamical study of bulk and nanocrystalline In2O3

The effect of pressure on the vibrational properties of bulk and nanocrystallinepowders of cubic bixbyite-type In2O3 has been investigated at room temperature by means of Raman spectroscopy up to 31.6 and 30¿GPa, respectively. We have been able to follow the pressure dependence of up to sixteen and seven Raman modes in bulk and nanocrystalline cubic In2O3, respectively. The experimental frequencies and pressure coefficients of the Raman-active modes of bulk cubic In2O3 at ambient pressure are in good agreement with those predicted by our theoretical ab initio calculations. Furthermore, a comparison of our experimental data with our calculations for the Raman modes in rhombohedral corundum and orthorhombic Rh2O3-II structures and with already reported Raman modes of rhombohedral corundum-type In2O3 at room pressure indicate that Raman scattering measurements provide no experimental evidence of the cubic to rhombohedral or cubic to orthorhombic phase transitions either in bulk material or in nanocrystals up to 30¿GPa. © 2012 American Institute of PhysicsResearch financed by the Spanish MEC under Grant No. MAT2010-21270-C04-01/03/04 and from Vicerrectorado de Investigacion de la Universitat Politecnica de Valencia under Projects UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11. CONACyT Mexico under the Project J-152153-F and the Marie-Curie Intra-European Fellowship have supported AHR. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. B.G.-D. acknowledges J. 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Structural and electrical study of the topological insulator SnBi2Te4 at high pressures

We report high-pressure X-ray diffraction and electrical measurements of the topological insulator SnBi2Te4 at room temperature. The pressure dependence of the structural properties of the most stable phase of SnBi2Te4 at ambient conditions (trigonal phase) have been experimentally determined and compared with results of our ab initio calculations. Furthermore, a comparison of SnBi2Te4 with the parent compound Bi2Te3 shows that the central TeSnTe trilayer, which substitutes the Te layer at the center of the TeBiTeBiTe layers of Bi2Te3, plays a minor role in the compression of SnBi2Te4. Similar to Bi2Te3, our resistance measurements and electronic band structure simulations in SnBi2Te4 at high pressure suggest that this compound exhibits a pressure-induced electronic topological transition or Lifshitz transition between 3.5 and 5.0 GPa. (C) 2016 Published by Elsevier B.V.We thank Dr. Philipp Urban for preparing the sample. This work has been performed under financial support from Spanish MINECO under projects MAT2013-46649-C4-2-P, MAT2015-71070-REDC and CTQ2015-67755-C2-1-R and from Spanish Ministerio de Educacion, Cultura y Deporte as part of "Programa Campus de Excelencia Internacional/Programa de Valoracion y Recursos Conjuntos de I + D + i VLC/CAMPUS" through projects SP20140701 and SP20140871. One of the experiments were performed at MSPD-BL04 beamline at ALBA Synchrotron with the collaboration of ALBA staff. J.A.S. thanks "Juan de la Cierva" fellowship program for funding. A. A.-C. and J.S.-B. are also grateful to Spanish MINECO for the FPI (BES-2013-066112) and Ramon y Cajal (RyC-2010-06276) fellowships. We acknowledge Diamond Light Source for time on beamline I15 under Proposal EE9102.Vilaplana Cerda, RI.; Sans Tresserras, JÁ.; Manjón Herrera, FJ.; Andrada-Chacón, A.; Sánchez-Benitez, J.; Popescu, C.; Gomis, O.... (2016). Structural and electrical study of the topological insulator SnBi2Te4 at high pressures. Journal of Alloys and Compounds. 685:962-970. https://doi.org/10.1016/j.jallcom.2016.06.170S96297068

New polymorph of InVO4: A high-pressure structure with six-coordinated vanadium

This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Inorganic Chemestry, copyright © American Chemical Society after peer review. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/ic402043xA new wolframite-type polymorph of InVO4 is identified under compression near 7 GPa by in situ high-pressure (HP) X-ray diffraction (XRD) and Raman spectroscopic investigations on the stable orthorhombic InVO4. The structural transition is accompanied by a large volume collapse (Delta V/V = -14%) and a drastic increase in bulk modulus (from 69 to 168 GPa). Both techniques also show the existence of a third phase coexisting with the low- and high-pressure phases in a limited pressure range close to the transition pressure. XRD studies revealed a highly anisotropic compression in orthorhombic InVO4. In addition, the compressibility becomes nonlinear in the HP polymorph. The volume collapse in the lattice is related to an increase of the polyhedral coordination around the vanadium atoms. The transformation is not fully reversible. The drastic change in the polyhedral arrangement observed at the transition is indicative of a reconstructive phase transformation. The HP phase here found is the only modification of InVO4 reported to date with 6-fold coordinated vanadium atoms. Finally, Raman frequencies and pressure coefficients in the low- and high-pressure phases of InVO4 are reported.This research supported by the Spanish government MINECO under Grant Nos. MAT2010-21270-C04-01/04 and CSD2007-00045. O.G. acknowledges support from Vicerrectorado de Investigacion y Desarrollo of UPV (Grant No. UPV2011-0914 PAID-05-11 and UPV2011-0966 PAID-06-11). S.N.A. acknowledges support provided by Universitat de Valencia during his visit to it. B.G.-D. acknowledges the financial support from MINECO through the FPI program.Errandonea, D.; Gomis Hilario, O.; García-Domene, B.; Pellicer Porres, J.; Katari, V.; Achary, SN.; Tyagi, AK.... (2013). New polymorph of InVO4: A high-pressure structure with six-coordinated vanadium. Inorganic Chemistry. 52(21):12790-12798. https://doi.org/10.1021/ic402043xS1279012798522