- -

Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Compartir/Enviar a

Citas

Estadísticas

  • Estadisticas de Uso

Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides

Mostrar el registro sencillo del ítem

Ficheros en el ítem

Thumbnail
Nombre: IBAÑEZ;Sans-Tress ...
Tamaño: 2.418Mb
Formato: PDF
Descripción: Versión editorial
Abrir
dc.contributor.author IBAÑEZ, JORDI es_ES
dc.contributor.author Sans-Tresserras, Juan Ángel es_ES
dc.contributor.author Cuenca-Gotor, Vanesa Paula es_ES
dc.contributor.author OLIVA, R. es_ES
dc.contributor.author Gomis, O. es_ES
dc.contributor.author Rodríguez-Hernández, Plácida es_ES
dc.contributor.author MUÑOZ, A. es_ES
dc.contributor.author Rodriguez-Mendoza, U.R. es_ES
dc.contributor.author Velazquez, M. es_ES
dc.contributor.author Veber, P. es_ES
dc.contributor.author Popescu, Catalin es_ES
dc.contributor.author Manjón, Francisco-Javier es_ES
dc.date.accessioned 2021-04-28T03:32:07Z
dc.date.available 2021-04-28T03:32:07Z
dc.date.issued 2020-07-20 es_ES
dc.identifier.issn 0020-1669 es_ES
dc.identifier.uri http://hdl.handle.net/10251/165723
dc.description.abstract [EN] We report a joint experimental and theoretical investigation of the high pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder X-ray diffraction and Raman scattering measurements show that cubic Ia (3 ) over bar (C-type) Tb2O3 undergoes two phase transitions up to 25 GPa. We observe a first irreversible reconstructive transition to the monoclinic C2/m (B-type) phase at similar to 7 GPa and a subsequent reversible displacive transition from the monoclinic to the trigonal P (3) over bar m1 (A-type) phase at similar to I-2 GPa. Thus, Tb2O3 is found to follow the well- known C -> B -> A phase transition sequence found in other cubic rare earth sesquioxides with cations of larger atomic mass than Tb. Our ab initio theoretical calculations predict phase transition pressures and bulk moduli for the three phases in rather good agreement with experimental results. Moreover, Raman-active modes of the three phases have been monitored as a function of pressure, while lattice-dynamics calculations have allowed us to confirm the assignment of the experimental phonon modes in the C- and A-type phases as well as to make a tentative assignment of the symmetry of most vibrational modes in the B-type phase. Finally, we extract the bulk moduli and the Raman-active mode frequencies together with their pressure coefficients for the three phases of Tb2O3 . These results are thoroughly compared and discussed in relation to those reported for rare earth and other related sesquioxides as well as with new calculations for selected sesquioxides. It is concluded that the evolution of the volume and bulk modulus of all the three phases of these technologically relevant compounds exhibit a nearly linear trend with respect to the third power of the ionic radii of the cations and that the values of the bulk moduli for the three phases depend on the filling of the f orbitals. es_ES
dc.description.sponsorship The authors are thankful for the financial support of Generalitat Valenciana under Project PROMETEO 2018/123-EFIMAT and of the Spanish Ministerio de Economia y Competitividad under Projects MAT2015-71035-R, MAT2016-75586-C4-2/3/4-P, and FIS2017-2017-83295-P as well as MALTA Consolider Team research network under project RED2018-102612-T. J.A.S. also acknowledges the Ramon y Cajal program for funding support through RYC-2015-17482. A.M. and P.R.-H. acknowledge computing time provided by Red Española de Supercomputación (RES) and the MALTA Consolider Team cluster. HP-XRD experiments were performed at MPSD beamline of Alba Synchrotron (experiment no. 2016071772). We would like to thank Oriol Blázquez (Universitat de Barcelona) for his contribution to the Raman measurements. es_ES
dc.language Inglés es_ES
dc.publisher American Chemical Society es_ES
dc.relation.ispartof Inorganic Chemistry es_ES
dc.rights Reconocimiento (by) es_ES
dc.subject Tb2O3 es_ES
dc.subject Rare Earth es_ES
dc.subject Sesquioxides es_ES
dc.subject Crystal structure es_ES
dc.subject Lattices es_ES
dc.subject Compression es_ES
dc.subject Phase transitions es_ES
dc.subject Cations es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1021/acs.inorgchem.0c00834 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/FIS2017-83295-P/ES/EN BUSCA DE LA REACCION DEL HELIO EN CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2015-71035-R/ES/MATERIALES AVANZADOS PARA PROCESOS ENERGETICOS ALTAMENTE EFICIENTES: ESTUDIO DE SUS PROPIEDADES OPTICAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-3-P/ES/ESTUDIO AB INITIO DE COMPUESTOS ABX4, ABO3, A2X3, PEROVSKITAS Y NANOMATERIALES BAJO CONDICIONES EXTREMAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-4-P/ES/CARACTERIZACION DE NANO-PEROVSKITAS DE OXIDOS Y FLUORUROS DOPADOS CON IONES LUMINISCENTES EN CONDICIONES EXTREMAS; APLICACION EN SISTEMAS FOTONICOS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2016-75586-C4-2-P/ES/COMPUESTOS ABO3 Y A2X3 EN CONDICIONES EXTREMAS DE PRESION Y TEMPERATURA/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//RYC-2015-17482/ES/RYC-2015-17482/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/GVA//PROMETEO%2F2018%2F123/ES/Materiales avanzados para el uso eficiente de la energia (EFIMAT)/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/AEI//RED2018-102612-T/ES/MALTA-CONSOLIDER TEAM/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Diseño para la Fabricación y Producción Automatizada - Institut de Disseny per a la Fabricació i Producció Automatitzada es_ES
dc.description.bibliographicCitation Ibañez, J.; Sans-Tresserras, JÁ.; Cuenca-Gotor, VP.; Oliva, R.; Gomis, O.; Rodríguez-Hernández, P.; Muñoz, A.... (2020). Structural and Lattice-Dynamical Properties of Tb2O3 under Compression: A Comparative Study with Rare Earth and Related Sesquioxides. Inorganic Chemistry. 59(14):9648-9666. https://doi.org/10.1021/acs.inorgchem.0c00834 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1021/acs.inorgchem.0c00834 es_ES
dc.description.upvformatpinicio 9648 es_ES
dc.description.upvformatpfin 9666 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 59 es_ES
dc.description.issue 14 es_ES
dc.identifier.pmid 32584569 es_ES
dc.identifier.pmcid PMC7588034 es_ES
dc.relation.pasarela S\416902 es_ES
dc.contributor.funder Generalitat Valenciana es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
dc.contributor.funder Agencia Estatal de Investigación es_ES
dc.description.references Pan, T.-M., Chen, F.-H., & Jung, J.-S. (2010). Structural and electrical characteristics of high-k Tb2O3 and Tb2TiO5 charge trapping layers for nonvolatile memory applications. Journal of Applied Physics, 108(7), 074501. doi:10.1063/1.3490179 es_ES
dc.description.references Kao, C. H., Liu, K. C., Lee, M. H., Cheng, S. N., Huang, C. H., & Lin, W. K. (2012). High dielectric constant terbium oxide (Tb2O3) dielectric deposited on strained-Si:C. Thin Solid Films, 520(8), 3402-3405. doi:10.1016/j.tsf.2011.10.173 es_ES
dc.description.references Gray, N. W., Prestgard, M. C., & Tiwari, A. (2014). Tb2O3 thin films: An alternative candidate for high-k dielectric applications. Applied Physics Letters, 105(22), 222903. doi:10.1063/1.4903072 es_ES
dc.description.references Geppert, I., Eizenberg, M., Bojarczuk, N. A., Edge, L. F., Copel, M., & Guha, S. (2010). Determination of band offsets, chemical bonding, and microstructure of the (TbxSc1−x)2O3/Si system. Journal of Applied Physics, 108(2), 024105. doi:10.1063/1.3427554 es_ES
dc.description.references Belaya, S. V., Bakovets, V. V., Boronin, A. I., Koshcheev, S. V., Lobzareva, M. N., Korolkov, I. V., & Stabnikov, P. A. (2014). Terbium oxide films grown by chemical vapor deposition from terbium(III) dipivaloylmethanate. Inorganic Materials, 50(4), 379-386. doi:10.1134/s0020168514040037 es_ES
dc.description.references Bakovets, V. V., Belaya, S. V., Lobzareva, M. N., & Maksimovskii, E. A. (2014). Kinetics of terbium oxide film growth from Tb(dpm)3 vapor. Inorganic Materials, 50(6), 576-581. doi:10.1134/s0020168514060016 es_ES
dc.description.references ZINKEVICH, M. (2007). Thermodynamics of rare earth sesquioxides. Progress in Materials Science, 52(4), 597-647. doi:10.1016/j.pmatsci.2006.09.002 es_ES
dc.description.references Warshaw, I., & Roy, R. (1961). POLYMORPHISM OF THE RARE EARTH SESQUIOXIDES1. The Journal of Physical Chemistry, 65(11), 2048-2051. doi:10.1021/j100828a030 es_ES
dc.description.references Brauer, G., & Pfeiffer, B. (1965). Mischphasen aus Praseodym(III)-oxid und Terbium(III)-oxid. Zeitschrift f�r anorganische und allgemeine Chemie, 341(5-6), 237-243. doi:10.1002/zaac.19653410503 es_ES
dc.description.references Shevthenko, A. V., & Lopato, L. M. (1985). DTA method applikation to the highest refractory oxide systems investigation. Thermochimica Acta, 93, 537-540. doi:10.1016/0040-6031(85)85135-2 es_ES
dc.description.references Hoekstra, H. R., & Gingerich, K. A. (1964). High-Pressure B-Type Polymorphs of Some Rare-Earth Sesquioxides. Science, 146(3648), 1163-1164. doi:10.1126/science.146.3648.1163 es_ES
dc.description.references Sawyer, J. O., Hyde, B. G., & Eyring, L. (1965). Pressure and Polymorphism in the Rare Earth Sesquioxides. Inorganic Chemistry, 4(3), 426-427. doi:10.1021/ic50025a043 es_ES
dc.description.references Manjón, F., Sans, J., Ibáñez, J., & Pereira, A. (2019). Pressure-Induced Phase Transitions in Sesquioxides. Crystals, 9(12), 630. doi:10.3390/cryst9120630 es_ES
dc.description.references Jiang, S., Liu, J., Lin, C., Bai, L., Xiao, W., Zhang, Y., … Tang, L. (2010). Pressure-induced phase transition in cubic Lu2O3. Journal of Applied Physics, 108(8), 083541. doi:10.1063/1.3499301 es_ES
dc.description.references Lin, C.-M., Wu, K.-T., Hung, T.-L., Sheu, H.-S., Tsai, M.-H., Lee, J.-F., & Lee, J.-J. (2010). Phase transitions in under high pressure. Solid State Communications, 150(33-34), 1564-1569. doi:10.1016/j.ssc.2010.05.046 es_ES
dc.description.references Meyer, C., Sanchez, J. P., Thomasson, J., & Itié, J. P. (1995). Mössbauer and energy-dispersive x-ray-diffraction studies of the pressure-induced crystallographic phase transition inC-typeYb2O3. Physical Review B, 51(18), 12187-12193. doi:10.1103/physrevb.51.12187 es_ES
dc.description.references Pandey, S. D., Samanta, K., Singh, J., Sharma, N. D., & Bandyopadhyay, A. K. (2013). Anharmonic behavior and structural phase transition in Yb2O3. AIP Advances, 3(12), 122123. doi:10.1063/1.4858421 es_ES
dc.description.references Sahu, P. C., Lonappan, D., & Shekar, N. V. C. (2012). High Pressure Structural Studies on Rare-Earth Sesquioxides. Journal of Physics: Conference Series, 377, 012015. doi:10.1088/1742-6596/377/1/012015 es_ES
dc.description.references Irshad, K. A., Anees, P., Sahoo, S., Sanjay Kumar, N. R., Srihari, V., Kalavathi, S., & Chandra Shekar, N. V. (2018). Pressure induced structural phase transition in rare earth sesquioxide Tm2O3: Experiment and ab initio calculations. Journal of Applied Physics, 124(15), 155901. doi:10.1063/1.5049223 es_ES
dc.description.references Yan, D., Wu, P., Zhang, S. P., Liang, L., Yang, F., Pei, Y. L., & Chen, S. (2013). Assignments of the Raman modes of monoclinic erbium oxide. Journal of Applied Physics, 114(19), 193502. doi:10.1063/1.4831663 es_ES
dc.description.references Ren, X., Yan, X., Yu, Z., Li, W., & Wang, L. (2017). Photoluminescence and phase transition in Er2O3 under high pressure. Journal of Alloys and Compounds, 725, 941-945. doi:10.1016/j.jallcom.2017.07.219 es_ES
dc.description.references Guo, Q., Zhao, Y., Jiang, C., Mao, W. L., Wang, Z., Zhang, J., & Wang, Y. (2007). Pressure-Induced Cubic to Monoclinic Phase Transformation in Erbium Sesquioxide Er2O3. Inorganic Chemistry, 46(15), 6164-6169. doi:10.1021/ic070154g es_ES
dc.description.references Lonappan, D., Shekar, N. V. C., Ravindran, T. R., & Sahu, P. C. (2010). High-pressure phase transition in Ho2O3. Materials Chemistry and Physics, 120(1), 65-67. doi:10.1016/j.matchemphys.2009.10.022 es_ES
dc.description.references Jiang, S., Liu, J., Li, X., Bai, L., Xiao, W., Zhang, Y., … Tang, L. (2011). Phase transformation of Ho2O3at high pressure. Journal of Applied Physics, 110(1), 013526. doi:10.1063/1.3603027 es_ES
dc.description.references Pandey, S. D., Samanta, K., Singh, J., Sharma, N. D., & Bandyopadhyay, A. K. (2014). Raman scattering of rare earth sesquioxide Ho2O3: A pressure and temperature dependent study. Journal of Applied Physics, 116(13), 133504. doi:10.1063/1.4896832 es_ES
dc.description.references Yan, X., Ren, X., He, D., Chen, B., & Yang, W. (2014). Mechanical behaviors and phase transition of Ho2O3nanocrystals under high pressure. Journal of Applied Physics, 116(3), 033507. doi:10.1063/1.4890341 es_ES
dc.description.references Sharma, N. D., Singh, J., Dogra, S., Varandani, D., Poswal, H. K., Sharma, S. M., & Bandyopadhyay, A. K. (2011). Pressure-induced anomalous phase transformation in nano-crystalline dysprosium sesquioxide. Journal of Raman Spectroscopy, 42(3), 438-444. doi:10.1002/jrs.2720 es_ES
dc.description.references Jiang, S., Liu, J., Lin, C., Bai, L., Zhang, Y., Li, X., … Wang, H. (2013). Structural transformations in cubic Dy2O3 at high pressures. Solid State Communications, 169, 37-41. doi:10.1016/j.ssc.2013.06.027 es_ES
dc.description.references Chen, H., He, C., Gao, C., Ma, Y., Zhang, J., Wang, X., … Zou, G. (2007). The structural transition of Gd2O3nanoparticles induced by high pressure. Journal of Physics: Condensed Matter, 19(42), 425229. doi:10.1088/0953-8984/19/42/425229 es_ES
dc.description.references Hai-Yong, C., Chun-Yuan, H., Chun-Xiao, G., Jia-Hua, Z., Shi-Yong, G., Hong-Liang, L., … Guang-Tian, Z. (2007). Structural Transition of Gd 2 O 3  :Eu Induced by High Pressure. Chinese Physics Letters, 24(1), 158-160. doi:10.1088/0256-307x/24/1/043 es_ES
dc.description.references Zhang, F. X., Lang, M., Wang, J. W., Becker, U., & Ewing, R. C. (2008). Structural phase transitions of cubicGd2O3at high pressures. Physical Review B, 78(6). doi:10.1103/physrevb.78.064114 es_ES
dc.description.references Dilawar, N., Varandani, D., Mehrotra, S., Poswal, H. K., Sharma, S. M., & Bandyopadhyay, A. K. (2008). Anomalous high pressure behaviour in nanosized rare earth sesquioxides. Nanotechnology, 19(11), 115703. doi:10.1088/0957-4484/19/11/115703 es_ES
dc.description.references Bai, L., Liu, J., Li, X., Jiang, S., Xiao, W., Li, Y., … Zhang, D. (2009). Pressure-induced phase transformations in cubic Gd2O3. Journal of Applied Physics, 106(7), 073507. doi:10.1063/1.3236580 es_ES
dc.description.references Zou, X., Gong, C., Liu, B., Li, Q., Li, Z., Liu, B., … Song, H. (2011). X-ray diffraction of cubic Gd2 O3 /Er under high pressure. physica status solidi (b), 248(5), 1123-1127. doi:10.1002/pssb.201000706 es_ES
dc.description.references Zhang, C. C., Zhang, Z. M., Dai, R. C., Wang, Z. P., & Ding, Z. J. (2011). High Pressure Luminescence and Raman Studies on the Phase Transition of Gd2O3:Eu3+ Nanorods. Journal of Nanoscience and Nanotechnology, 11(11), 9887-9891. doi:10.1166/jnn.2011.5228 es_ES
dc.description.references Yang, X., Li, Q., Liu, Z., Bai, X., Song, H., Yao, M., … Liu, B. (2013). Pressure-Induced Amorphization in Gd2O3/Er3+ Nanorods. The Journal of Physical Chemistry C, 117(16), 8503-8508. doi:10.1021/jp312705u es_ES
dc.description.references Chen, G., Haire, R. G., & Peterson, J. R. (1991). Effect of pressure on cubic (C-type) Eu2O3studied via Eu3+luminescence. High Pressure Research, 6(6), 371-377. doi:10.1080/08957959208201045 es_ES
dc.description.references Chen, G., Stump, N. ., Haire, R. ., & Peterson, J. . (1992). Study of the phase behavior of Eu2O3 under pressure via luminescence of Eu3+. Journal of Alloys and Compounds, 181(1-2), 503-509. doi:10.1016/0925-8388(92)90347-c es_ES
dc.description.references Dilawar, N., Varandani, D., Pandey, V. P., Kumar, M., Shivaprasad, S. M., Sharma, P. K., & Bandyopadhyay, A. K. (2006). Structural Transition in Nanostructured Eu2O3 Under High Pressures. Journal of Nanoscience and Nanotechnology, 6(1), 105-113. doi:10.1166/jnn.2006.17913 es_ES
dc.description.references Sheng, J., Li-Gang, B., Jing, L., Wan-Sheng, X., Xiao-Dong, L., Yan-Chun, L., … Li-Rong, Z. (2009). The Phase Transition of Eu 2 O 3 under High Pressures. Chinese Physics Letters, 26(7), 076101. doi:10.1088/0256-307x/26/7/076101 es_ES
dc.description.references Irshad, K. A., Chandra Shekar, N. V., Srihari, V., Pandey, K. K., & Kalavathi, S. (2017). High pressure structural phase transitions in Ho: Eu2O3. Journal of Alloys and Compounds, 725, 911-915. doi:10.1016/j.jallcom.2017.07.224 es_ES
dc.description.references Yu, Z., Wang, Q., Ma, Y., & Wang, L. (2017). X-ray diffraction and spectroscopy study of nano-Eu2O3 structural transformation under high pressure. Journal of Alloys and Compounds, 701, 542-548. doi:10.1016/j.jallcom.2017.01.143 es_ES
dc.description.references Guo, Q., Zhao, Y., Jiang, C., Mao, W. L., & Wang, Z. (2008). Phase transformation in Sm2O3 at high pressure: In situ synchrotron X-ray diffraction study and ab initio DFT calculation. Solid State Communications, 145(5-6), 250-254. doi:10.1016/j.ssc.2007.11.019 es_ES
dc.description.references Jiang, S., Liu, J., Lin, C., Li, X., & Li, Y. (2013). High-pressure x-ray diffraction and Raman spectroscopy of phase transitions in Sm2O3. Journal of Applied Physics, 113(11), 113502. doi:10.1063/1.4795504 es_ES
dc.description.references Liu, D., Lei, W., Li, Y., Ma, Y., Hao, J., Chen, X., … Zou, G. (2009). High-Pressure Structural Transitions of Sc2O3by X-ray Diffraction, Raman Spectra, and Ab Initio Calculations. Inorganic Chemistry, 48(17), 8251-8256. doi:10.1021/ic900889v es_ES
dc.description.references Yusa, H., Tsuchiya, T., Sata, N., & Ohishi, Y. (2009). High-Pressure Phase Transition to the Gd2S3 Structure in Sc2O3: A New Trend in Dense Structures in Sesquioxides. Inorganic Chemistry, 48(16), 7537-7543. doi:10.1021/ic9001253 es_ES
dc.description.references Ovsyannikov, S. V., Bykova, E., Bykov, M., Wenz, M. D., Pakhomova, A. S., Glazyrin, K., … Dubrovinsky, L. (2015). Structural and vibrational properties of single crystals of Scandia, Sc2O3 under high pressure. Journal of Applied Physics, 118(16), 165901. doi:10.1063/1.4933391 es_ES
dc.description.references Husson, E., Proust, C., Gillet, P., & Itié, J. . (1999). Phase transitions in yttrium oxide at high pressure studied by Raman spectroscopy. Materials Research Bulletin, 34(12-13), 2085-2092. doi:10.1016/s0025-5408(99)00205-6 es_ES
dc.description.references Bai, X., Song, H. W., Liu, B. B., Hou, Y. Y., Pan, G. H., & Ren, X. G. (2008). Effects of High Pressure on the Luminescent Properties of Nanocrystalline and Bulk Y2O3:Eu3+. Journal of Nanoscience and Nanotechnology, 8(3), 1404-1409. doi:10.1166/jnn.2008.18204 es_ES
dc.description.references Jovanić, B. R., Dramićanin, M., Viana, B., Panić, B., & Radenković, B. (2008). High-pressure optical studies of Y2O3:Eu3+nanoparticles. Radiation Effects and Defects in Solids, 163(12), 925-931. doi:10.1080/10420150802082705 es_ES
dc.description.references Wang, L., Pan, Y., Ding, Y., Yang, W., Mao, W. L., Sinogeikin, S. V., … Mao, H. (2009). High-pressure induced phase transitions of Y2O3 and Y2O3:Eu3+. Applied Physics Letters, 94(6), 061921. doi:10.1063/1.3082082 es_ES
dc.description.references Wang, L., Yang, W., Ding, Y., Ren, Y., Xiao, S., Liu, B., … Mao, H. (2010). Size-Dependent Amorphization of NanoscaleY2O3at High Pressure. Physical Review Letters, 105(9). doi:10.1103/physrevlett.105.095701 es_ES
dc.description.references Halevy, I., Carmon, R., Winterrose, M. L., Yeheskel, O., Tiferet, E., & Ghose, S. (2010). Pressure-induced structural phase transitions in Y2O3sesquioxide. Journal of Physics: Conference Series, 215, 012003. doi:10.1088/1742-6596/215/1/012003 es_ES
dc.description.references Dai, R. C., Zhang, Z. M., Zhang, C. C., & Ding, Z. J. (2010). Photoluminescence and Raman Studies of Y<SUB>2</SUB>O<SUB>3</SUB>:Eu<SUP>3+</SUP> Nanotubes Under High Pressure. Journal of Nanoscience and Nanotechnology, 10(11), 7629-7633. doi:10.1166/jnn.2010.2752 es_ES
dc.description.references DAI, R., WANG, Z., ZHANG, Z., & DING, Z. (2010). Photoluminescence study of SiO2 coated Eu3+:Y2O3 core-shells under high pressure. Journal of Rare Earths, 28, 241-245. doi:10.1016/s1002-0721(10)60275-x es_ES
dc.description.references Yusa, H., Tsuchiya, T., Sata, N., & Ohishi, Y. (2010). Dense Yttria Phase Eclipsing the A-Type Sesquioxide Structure: High-Pressure Experiments and ab initio Calculations. Inorganic Chemistry, 49(10), 4478-4485. doi:10.1021/ic100042z es_ES
dc.description.references Bose, P. P., Gupta, M. K., Mittal, R., Rols, S., Achary, S. N., Tyagi, A. K., & Chaplot, S. L. (2012). High Pressure Phase Transitions in Yttria, Y2O3. Journal of Physics: Conference Series, 377, 012036. doi:10.1088/1742-6596/377/1/012036 es_ES
dc.description.references Srivastava, A. M., Renero-Lecuna, C., Santamaría-Pérez, D., Rodríguez, F., & Valiente, R. (2014). Pressure-induced Pr3+ 3P0 luminescence in cubic Y2O3. Journal of Luminescence, 146, 27-32. doi:10.1016/j.jlumin.2013.09.028 es_ES
dc.description.references Yamanaka, T., Nagai, T., Okada, T., & Fukuda, T. (2005). Structure change of Mn2O3under high pressure and pressure-induced transition. Zeitschrift für Kristallographie - Crystalline Materials, 220(11), 938-945. doi:10.1524/zkri.2005.220.11_2005.938 es_ES
dc.description.references Santillán, J., Shim, S.-H., Shen, G., & Prakapenka, V. B. (2006). High-pressure phase transition in Mn2O3: Application for the crystal structure and preferred orientation of the CaIrO3type. Geophysical Research Letters, 33(15). doi:10.1029/2006gl026423 es_ES
dc.description.references Shim, S.-H., LaBounty, D., & Duffy, T. S. (2011). Raman spectra of bixbyite, Mn2O3, up to 40 GPa. Physics and Chemistry of Minerals, 38(9), 685-691. doi:10.1007/s00269-011-0441-4 es_ES
dc.description.references Hong, F., Yue, B., Hirao, N., Liu, Z., & Chen, B. (2017). Significant improvement in Mn2O3 transition metal oxide electrical conductivity via high pressure. Scientific Reports, 7(1). doi:10.1038/srep44078 es_ES
dc.description.references Yusa, H., Tsuchiya, T., Sata, N., & Ohishi, Y. (2008). Rh2O3(II)-type structures inGa2O3andIn2O3under high pressure: Experiment and theory. Physical Review B, 77(6). doi:10.1103/physrevb.77.064107 es_ES
dc.description.references Liu, D., Lei, W. W., Zou, B., Yu, S. D., Hao, J., Wang, K., … Zou, G. T. (2008). High-pressure x-ray diffraction and Raman spectra study of indium oxide. Journal of Applied Physics, 104(8), 083506. doi:10.1063/1.2999369 es_ES
dc.description.references Qi, J., Liu, J. F., He, Y., Chen, W., & Wang, C. (2011). Compression behavior and phase transition of cubic In2O3 nanocrystals. Journal of Applied Physics, 109(6), 063520. doi:10.1063/1.3561363 es_ES
dc.description.references Garcia-Domene, B., Ortiz, H. M., Gomis, O., Sans, J. A., Manjón, F. J., Muñoz, A., … Tyagi, A. K. (2012). High-pressure lattice dynamical study of bulk and nanocrystalline In2O3. Journal of Applied Physics, 112(12), 123511. doi:10.1063/1.4769747 es_ES
dc.description.references García-Domene, B., Sans, J. A., Gomis, O., Manjón, F. J., Ortiz, H. M., Errandonea, D., … Segura, A. (2014). Pbca-Type In2O3: The High-Pressure Post-Corundum phase at Room Temperature. The Journal of Physical Chemistry C, 118(35), 20545-20552. doi:10.1021/jp5061599 es_ES
dc.description.references Gomis, O., Santamaría-Pérez, D., Ruiz-Fuertes, J., Sans, J. A., Vilaplana, R., Ortiz, H. M., … Mollar, M. (2014). High-pressure structural and elastic properties of Tl2O3. Journal of Applied Physics, 116(13), 133521. doi:10.1063/1.4897241 es_ES
dc.description.references Mcclure, J. P. High Pressure Phase Transistions in the Lanthanide Sesquioxides. Ph.D. Thesis, University of Nevada, Las Vegas, 2009, pp 1–154. es_ES
dc.description.references Hirosaki, N., Ogata, S., & Kocer, C. (2003). Ab initio calculation of the crystal structure of the lanthanide Ln2O3 sesquioxides. Journal of Alloys and Compounds, 351(1-2), 31-34. doi:10.1016/s0925-8388(02)01043-5 es_ES
dc.description.references Marsella, L., & Fiorentini, V. (2004). Structure and stability of rare-earth and transition-metal oxides. Physical Review B, 69(17). doi:10.1103/physrevb.69.172103 es_ES
dc.description.references Petit, L., Svane, A., Szotek, Z., & Temmerman, W. M. (2005). First-principles study of rare-earth oxides. Physical Review B, 72(20). doi:10.1103/physrevb.72.205118 es_ES
dc.description.references WU, B., ZINKEVICH, M., WANG, C., & ALDINGER, F. (2006). Ab initio energetic study of oxide ceramics with rare-earth elements. Rare Metals, 25(5), 549-555. doi:10.1016/s1001-0521(06)60097-1 es_ES
dc.description.references Singh, N., Saini, S. M., Nautiyal, T., & Auluck, S. (2006). Electronic structure and optical properties of rare earth sesquioxides (R2O3, R=La, Pr, and Nd). Journal of Applied Physics, 100(8), 083525. doi:10.1063/1.2353267 es_ES
dc.description.references Mikami, M., & Nakamura, S. (2006). Electronic structure of rare-earth sesquioxides and oxysulfides. Journal of Alloys and Compounds, 408-412, 687-692. doi:10.1016/j.jallcom.2005.01.068 es_ES
dc.description.references Wu, B., Zinkevich, M., Aldinger, F., Wen, D., & Chen, L. (2007). Ab initio study on structure and phase transition of A- and B-type rare-earth sesquioxides Ln2O3 (Ln=La–Lu, Y, and Sc) based on density function theory. Journal of Solid State Chemistry, 180(11), 3280-3287. doi:10.1016/j.jssc.2007.09.022 es_ES
dc.description.references Rahm, M., & Skorodumova, N. V. (2009). Phase stability of the rare-earth sesquioxides under pressure. Physical Review B, 80(10). doi:10.1103/physrevb.80.104105 es_ES
dc.description.references Jiang, H., Gomez-Abal, R. I., Rinke, P., & Scheffler, M. (2009). Localized and Itinerant States in Lanthanide Oxides United byGW @ LDA+U. Physical Review Letters, 102(12). doi:10.1103/physrevlett.102.126403 es_ES
dc.description.references Gillen, R., Clark, S. J., & Robertson, J. (2013). Nature of the electronic band gap in lanthanide oxides. Physical Review B, 87(12). doi:10.1103/physrevb.87.125116 es_ES
dc.description.references Richard, D., Muñoz, E. L., Rentería, M., Errico, L. A., Svane, A., & Christensen, N. E. (2013). AbinitioLSDA and LSDA+Ustudy of pure and Cd-doped cubic lanthanide sesquioxides. Physical Review B, 88(16). doi:10.1103/physrevb.88.165206 es_ES
dc.description.references Richard, D., Errico, L. A., & Rentería, M. (2016). Structural properties and the pressure-induced C → A phase transition of lanthanide sesquioxides from DFT and DFT + U calculations. Journal of Alloys and Compounds, 664, 580-589. doi:10.1016/j.jallcom.2015.12.236 es_ES
dc.description.references Ogawa, T., Otani, N., Yokoi, T., Fisher, C. A. J., Kuwabara, A., Moriwake, H., … Takata, M. (2018). Density functional study of the phase stability and Raman spectra of Yb2O3, Yb2SiO5 and Yb2Si2O7 under pressure. Physical Chemistry Chemical Physics, 20(24), 16518-16527. doi:10.1039/c8cp02497a es_ES
dc.description.references Pathak, A. K., & Vazhappilly, T. (2018). Ab Initio Study on Structure, Elastic, and Mechanical Properties of Lanthanide Sesquioxides. physica status solidi (b), 255(6), 1700668. doi:10.1002/pssb.201700668 es_ES
dc.description.references Lonappan, D., Chandra Shekar, N. V., Sahu, P. C., Kumar, J., Paul, R., & Paul, P. (2010). Unusually large structural stability of terbium oxide phase under high pressure. Journal of Alloys and Compounds, 490(1-2), 47-49. doi:10.1016/j.jallcom.2009.10.068 es_ES
dc.description.references Veber, P., Velázquez, M., Gadret, G., Rytz, D., Peltz, M., & Decourt, R. (2015). Flux growth at 1230 °C of cubic Tb2O3single crystals and characterization of their optical and magnetic properties. CrystEngComm, 17(3), 492-497. doi:10.1039/c4ce02006e es_ES
dc.description.references Ibáñez, J., Blázquez, O., Hernández, S., Garrido, B., Rodríguez‐Hernández, P., Muñoz, A., … Manjón, F. J. (2018). Lattice dynamics study of cubic Tb 2 O 3. Journal of Raman Spectroscopy, 49(12), 2021-2027. doi:10.1002/jrs.5488 es_ES
dc.description.references McCarthy, G. J. (1971). Crystal data onC-type terbium sesquioxide (Tb2O3). Journal of Applied Crystallography, 4(5), 399-400. doi:10.1107/s0021889871007295 es_ES
dc.description.references Dewaele, A., Loubeyre, P., & Mezouar, M. (2004). Equations of state of six metals above94GPa. Physical Review B, 70(9). doi:10.1103/physrevb.70.094112 es_ES
dc.description.references Prescher, C., & Prakapenka, V. B. (2015). DIOPTAS: a program for reduction of two-dimensional X-ray diffraction data and data exploration. High Pressure Research, 35(3), 223-230. doi:10.1080/08957959.2015.1059835 es_ES
dc.description.references Mao, H. K., Xu, J., & Bell, P. M. (1986). Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. Journal of Geophysical Research, 91(B5), 4673. doi:10.1029/jb091ib05p04673 es_ES
dc.description.references Hohenberg, P., & Kohn, W. (1964). Inhomogeneous Electron Gas. Physical Review, 136(3B), B864-B871. doi:10.1103/physrev.136.b864 es_ES
dc.description.references Kresse, G., & Furthmüller, J. (1996). Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6(1), 15-50. doi:10.1016/0927-0256(96)00008-0 es_ES
dc.description.references Blöchl, P. E. (1994). Projector augmented-wave method. Physical Review B, 50(24), 17953-17979. doi:10.1103/physrevb.50.17953 es_ES
dc.description.references Kresse, G., & Joubert, D. (1999). From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 59(3), 1758-1775. doi:10.1103/physrevb.59.1758 es_ES
dc.description.references Perdew, J. P., Burke, K., & Ernzerhof, M. (1996). Generalized Gradient Approximation Made Simple. Physical Review Letters, 77(18), 3865-3868. doi:10.1103/physrevlett.77.3865 es_ES
dc.description.references Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., … Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. Physical Review Letters, 100(13). doi:10.1103/physrevlett.100.136406 es_ES
dc.description.references Monkhorst, H. J., & Pack, J. D. (1976). Special points for Brillouin-zone integrations. Physical Review B, 13(12), 5188-5192. doi:10.1103/physrevb.13.5188 es_ES
dc.description.references Parlinski, K. Phonon Code; http://wolf.ifj.edu.pl/phonon/. es_ES
dc.description.references Vegas, A., & Isea, R. (1998). Distribution of the M-M Distances in the Rare Earth Oxides. Acta Crystallographica Section B Structural Science, 54(6), 732-740. doi:10.1107/s0108768198003759 es_ES
dc.description.references Vegas, A., Martin, R. L., & Bevan, D. J. M. (2008). Compounds with a `stuffed’ anti-bixbyite-type structure, analysed in terms of the Zintl–Klemm and coordination-defect concepts. Acta Crystallographica Section B Structural Science, 65(1), 11-21. doi:10.1107/s010876810803423x es_ES
dc.description.references Klotz, S., Chervin, J.-C., Munsch, P., & Le Marchand, G. (2009). Hydrostatic limits of 11 pressure transmitting media. Journal of Physics D: Applied Physics, 42(7), 075413. doi:10.1088/0022-3727/42/7/075413 es_ES
dc.description.references Hoekstra, H. R. (1966). Phase Relationships in the Rare Earth Sesquioxides at High Pressure. Inorganic Chemistry, 5(5), 754-757. doi:10.1021/ic50039a013 es_ES
dc.description.references Hubbert-Paletta, E., & M�ller-Buschbau, H. (1968). R�ntgenographische Untersuchung an Einkristallen von monoklinem Tb2O3. Zeitschrift f�r anorganische und allgemeine Chemie, 363(3-4), 145-150. doi:10.1002/zaac.19683630306 es_ES
dc.description.references Adachi, G., & Imanaka, N. (1998). The Binary Rare Earth Oxides. Chemical Reviews, 98(4), 1479-1514. doi:10.1021/cr940055h es_ES
dc.description.references Birch, F. (1938). The Effect of Pressure Upon the Elastic Parameters of Isotropic Solids, According to Murnaghan’s Theory of Finite Strain. Journal of Applied Physics, 9(4), 279-288. doi:10.1063/1.1710417 es_ES
dc.description.references Spedding, F. H., Hanak, J. J., & Daane, A. H. (1961). High temperature allotropy and thermal expansion of the rare-earth metals. Journal of the Less Common Metals, 3(2), 110-124. doi:10.1016/0022-5088(61)90003-0 es_ES
dc.description.references Chen, G., Peterson, J. R., & Brister, K. E. (1994). An Energy-Dispersive X-Ray Diffraction Study of Monoclinic Eu2O3 under Pressure. Journal of Solid State Chemistry, 111(2), 437-439. doi:10.1006/jssc.1994.1250 es_ES
dc.description.references Zhang, Q., Wu, X., & Qin, S. (2017). Pressure-induced phase transition of B-type Y 2 O 3. Chinese Physics B, 26(9), 090703. doi:10.1088/1674-1056/26/9/090703 es_ES
dc.description.references Gouteron, J., Michel, D., Lejus, A. M., & Zarembowitch, J. (1981). Raman spectra of lanthanide sesquioxide single crystals: Correlation between A and B-type structures. Journal of Solid State Chemistry, 38(3), 288-296. doi:10.1016/0022-4596(81)90058-x es_ES
dc.description.references Lipp, M. J., Jeffries, J. R., Cynn, H., Park Klepeis, J.-H., Evans, W. J., Mortensen, D. R., … Chow, P. (2016). Comparison of the high-pressure behavior of the cerium oxidesCe2O3andCeO2. Physical Review B, 93(6). doi:10.1103/physrevb.93.064106 es_ES
dc.description.references Pandey, K. K., Garg, N., Mishra, A. K., & Sharma, S. M. (2012). High pressure phase transition in Nd2O3. Journal of Physics: Conference Series, 377, 012006. doi:10.1088/1742-6596/377/1/012006 es_ES
dc.description.references Zhang, Q., Yang, J., Wu, X., & Qin, S. (2011). Phase stability and elasticity of Sc2O3 at high pressure. The European Physical Journal B, 84(1), 11-16. doi:10.1140/epjb/e2011-20405-6 es_ES
dc.description.references Shannon, R. D. (1976). Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Crystallographica Section A, 32(5), 751-767. doi:10.1107/s0567739476001551 es_ES
dc.description.references Shannon, R. D., & Prewitt, C. T. (1970). Synthesis and structure of a new high-pressure form of Rh2O3. Journal of Solid State Chemistry, 2(1), 134-136. doi:10.1016/0022-4596(70)90041-1 es_ES
dc.description.references Danno, T., Nakatsuka, D., Kusano, Y., Asaoka, H., Nakanishi, M., Fujii, T., … Takada, J. (2013). Crystal Structure of β-Fe2O3 and Topotactic Phase Transformation to α-Fe2O3. Crystal Growth & Design, 13(2), 770-774. doi:10.1021/cg301493a es_ES
dc.description.references Abrashev, M. V., Todorov, N. D., & Geshev, J. (2014). Raman spectra of R2O3 (R—rare earth) sesquioxides with C-type bixbyite crystal structure: A comparative study. Journal of Applied Physics, 116(10), 103508. doi:10.1063/1.4894775 es_ES
dc.description.references Zarembowitch, J., Gouteron, J., & Lejus, A. M. (1979). Raman spectra of lanthanide sesquioxide single crystals with A-type structure. Physica Status Solidi (b), 94(1), 249-256. doi:10.1002/pssb.2220940128 es_ES
dc.description.references Zarembowitch, J., Gouteron, J., & Lejus†, A. M. (1980). Raman spectrum of single crystals of monoclinic B-type gadolinium sesquioxide. Journal of Raman Spectroscopy, 9(4), 263-265. doi:10.1002/jrs.1250090410 es_ES
dc.description.references Aldebert, P., & Traverse, J. P. (1979). Etude par diffraction neutronique des structures de haute temperature de La2O3 et Nd2O3. Materials Research Bulletin, 14(3), 303-323. doi:10.1016/0025-5408(79)90095-3 es_ES
dc.description.references Hongo, T., Kondo, K., Nakamura, K. G., & Atou, T. (2007). High pressure Raman spectroscopic study of structural phase transition in samarium oxide. Journal of Materials Science, 42(8), 2582-2585. doi:10.1007/s10853-006-1417-5 es_ES
dc.description.references Jiang, S., Liu, J., Bai, L., Li, X., Li, Y., He, S., … Liang, D. (2018). Anomalous compression behaviour in Nd2O3 studied by x-ray diffraction and Raman spectroscopy. AIP Advances, 8(2), 025019. doi:10.1063/1.5018020 es_ES
dc.description.references Manjón, F. J., Syassen, K., & Lauck, R. (2002). Effect of Pressure on Phonon Modes in Wurtzite Zinc Oxide. High Pressure Research, 22(2), 299-304. doi:10.1080/08957950212798 es_ES
dc.description.references Manjón, 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.77.205204 es_ES
dc.description.references Gomis, O., Vilaplana, R., Manjón, F. J., Pérez-González, E., López-Solano, J., Rodríguez-Hernández, P., … Ursaki, V. V. (2012). High-pressure optical and vibrational properties of CdGa2Se4: Order-disorder processes in adamantine compounds. Journal of Applied Physics, 111(1), 013518. doi:10.1063/1.3675162 es_ES
dc.description.references Vilaplana, R., Robledillo, M., Gomis, O., Sans, J. A., Manjón, F. J., Pérez-González, E., … Ursaki, V. V. (2013). Vibrational study of HgGa2S4under high pressure. Journal of Applied Physics, 113(9), 093512. doi:10.1063/1.4794096 es_ES
dc.description.references Manjón, F. J., Rodríguez-Hernández, P., Muñoz, A., Romero, A. H., Errandonea, D., & Syassen, K. (2010). Lattice dynamics ofYVO4at high pressures. Physical Review B, 81(7). doi:10.1103/physrevb.81.075202 es_ES
dc.description.references Panchal, V., Manjón, F. J., Errandonea, D., Rodriguez-Hernandez, P., López-Solano, J., Muñoz, A., … Tyagi, A. K. (2011). High-pressure study of ScVO4by Raman scattering andab initiocalculations. Physical Review B, 83(6). doi:10.1103/physrevb.83.064111 es_ES
dc.description.references Avisar, D., & Livneh, T. (2016). The Raman-scattering of A-type Ce2O3. Vibrational Spectroscopy, 86, 14-16. doi:10.1016/j.vibspec.2016.05.006 es_ES
dc.description.references Boldish, S. I., & White, W. B. (1979). Vibrational spectra of crystals with the A-type rare earth oxide structure—I. La2O3 and Nd2O3. Spectrochimica Acta Part A: Molecular Spectroscopy, 35(11), 1235-1242. doi:10.1016/0584-8539(79)80204-4 es_ES
dc.description.references Canepa, P., Hanson, R. M., Ugliengo, P., & Alfredsson, M. (2010). J-ICE: a newJmolinterface for handling and visualizing crystallographic and electronic properties. Journal of Applied Crystallography, 44(1), 225-229. doi:10.1107/s0021889810049411 es_ES
dc.description.references Errandonea, D., Manjón, F. J., Muñoz, A., Rodríguez-Hernández, P., Panchal, V., Achary, S. N., & Tyagi, A. K. (2013). High-pressure polymorphs of TbVO4: A Raman and ab initio study. Journal of Alloys and Compounds, 577, 327-335. doi:10.1016/j.jallcom.2013.06.008 es_ES


Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem