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Lattice dynamics of Sb2Te3 at high pressures

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Lattice dynamics of Sb2Te3 at high pressures

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dc.contributor.author Gomis Hilario, Oscar es_ES
dc.contributor.author Vilaplana Cerda, Rosario Isabel es_ES
dc.contributor.author Manjón Herrera, Francisco Javier es_ES
dc.contributor.author Rodríguez-Hernández, P. es_ES
dc.contributor.author Pérez-González, E. es_ES
dc.contributor.author Muñoz, A. es_ES
dc.contributor.author Kucek, V. es_ES
dc.contributor.author Drasar, C. es_ES
dc.date.accessioned 2015-03-06T10:09:09Z
dc.date.available 2015-03-06T10:09:09Z
dc.date.issued 2011-11-28
dc.identifier.issn 1098-0121
dc.identifier.uri http://hdl.handle.net/10251/47799
dc.description.abstract We report an experimental and theoretical lattice dynamics study of antimony telluride (Sb 2Te 3) up to 26 GPa together with a theoretical study of its structural stability under pressure. Raman-active modes of the low-pressure rhombohedral (R-3m) phase were observed up to 7.7 GPa. Changes of the frequencies and linewidths were observed around 3.5 GPa where an electronic topological transition was previously found. Raman-mode changes evidence phase transitions at 7.7, 14.5, and 25GPa. The frequencies and pressure coefficients of the new phases above 7.7 and 14.5 GPa agree with those calculated for the monoclinic C2/m and C2/c structures recently observed at high pressures in Bi 2Te 3 and also for the C2/m phase in the case of Bi 2Se 3 and Sb 2Te 3. Above 25 GPa no Raman-active modes are observed in Sb 2Te 3, similarly to the case of Bi 2Te 3 and Bi 2Se 3. Therefore, it is possible that the structure of Sb 2Te 3 above 25 GPa is the same disordered bcc phase already found in Bi 2Te 3 by x-ray diffraction studies. Upon pressure release, Sb 2Te 3 reverts back to the original rhombohedral phase after considerable hysteresis. Raman- and IR-mode symmetries, frequencies, and pressure coefficients in the different phases are reported and discussed. © 2011 American Physical Society. es_ES
dc.description.sponsorship This work has been done under financial support from Spanish MICINN under Project Nos. MAT2010-21270-C04-03/04 and CSD-2007-00045 and supported by the Ministry of Education, Youth and Sports of the Czech Republic (MSM 0021627501). E. P.-G. acknowledges the financial support of the Spanish MEC under a FPI fellowship. Supercomputer time has been provided by the Red Espanola de Supercomputacion (RES) and the MALTA cluster. en_EN
dc.language Inglés es_ES
dc.publisher American Physical Society es_ES
dc.relation.ispartof Physical Review B es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Electronic topological transition es_ES
dc.subject Initio molecular-dynamics es_ES
dc.subject Total-Energy calculations es_ES
dc.subject Augmented-wave method es_ES
dc.subject Single dirac cone es_ES
dc.subject Thermoelectric properties es_ES
dc.subject Phase-transition es_ES
dc.subject Hydrostatic pressure es_ES
dc.subject Basis-set es_ES
dc.subject Bi2Te3 es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Lattice dynamics of Sb2Te3 at high pressures es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1103/PhysRevB.84.174305
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-03/ES/MATERIALES, NANOMATERIALES Y AGREGRADOS BAJO CONDICIONES EXTREMAS. PROPIEDADES ELECTRONICAS Y DINAMICAS DESDE METODOS AB INITIO/ / es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MSMT//0021627501/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//MAT2010-21270-C04-04/ES/CRECIMIENTO Y CARACTERIZACION DE NANOESTRUCTURAS DE OXIDOS METALICOS BAJO ALTAS PRESIONES/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MEC//CSD2007-00045/ES/MATERIA A ALTA PRESION/ 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.contributor.affiliation Universitat Politècnica de València. Centro de Tecnologías Físicas: Acústica, Materiales y Astrofísica - Centre de Tecnologies Físiques: Acústica, Materials i Astrofísica es_ES
dc.description.bibliographicCitation Gomis Hilario, O.; Vilaplana Cerda, RI.; Manjón Herrera, FJ.; Rodríguez-Hernández, P.; Pérez-González, E.; Muñoz, A.; Kucek, V.... (2011). Lattice dynamics of Sb2Te3 at high pressures. Physical Review B. 84:174305-1-174305-12. https://doi.org/10.1103/PhysRevB.84.174305 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://journals.aps.org/prb/pdf/10.1103/PhysRevB.84.174305 es_ES
dc.description.upvformatpinicio 174305-1 es_ES
dc.description.upvformatpfin 174305-12 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 84 es_ES
dc.relation.senia 206024
dc.identifier.eissn 1550-235X
dc.contributor.funder Ministry of Education, Youth and Sports, República Checa es_ES
dc.contributor.funder Ministerio de Educación y Ciencia es_ES
dc.description.references Snyder, G. J., & Toberer, E. S. (2008). Complex thermoelectric materials. Nature Materials, 7(2), 105-114. doi:10.1038/nmat2090 es_ES
dc.description.references Venkatasubramanian, R., Siivola, E., Colpitts, T., & O’Quinn, B. (2001). Thin-film thermoelectric devices with high room-temperature figures of merit. Nature, 413(6856), 597-602. doi:10.1038/35098012 es_ES
dc.description.references Harman, T. C. (2002). Quantum Dot Superlattice Thermoelectric Materials and Devices. Science, 297(5590), 2229-2232. doi:10.1126/science.1072886 es_ES
dc.description.references Chen, J., Sun, T., Sim, D., Peng, H., Wang, H., Fan, S., … Yan, Q. (2010). Sb2Te3Nanoparticles with Enhanced Seebeck Coefficient and Low Thermal Conductivity. Chemistry of Materials, 22(10), 3086-3092. doi:10.1021/cm9038297 es_ES
dc.description.references Yin, Y., Sone, H., & Hosaka, S. (2007). Characterization of nitrogen-doped Sb2Te3 films and their application to phase-change memory. Journal of Applied Physics, 102(6), 064503. doi:10.1063/1.2778737 es_ES
dc.description.references Kim, M. S., Cho, S. H., Hong, S. K., Roh, J. S., & Choi, D. J. (2008). Crystallization characteristics of nitrogen-doped Sb2Te3 films for PRAM application. Ceramics International, 34(4), 1043-1046. doi:10.1016/j.ceramint.2007.09.078 es_ES
dc.description.references Anderson, T. L., & Krause, H. B. (1974). Refinement of the Sb2Te3 and Sb2Te2Se structures and their relationship to nonstoichiometric Sb2Te3−y Se y compounds. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, 30(5), 1307-1310. doi:10.1107/s0567740874004729 es_ES
dc.description.references Zhang, H., Liu, C.-X., Qi, X.-L., Dai, X., Fang, Z., & Zhang, S.-C. (2009). Topological insulators in Bi2Se3, Bi2Te3 and Sb2Te3 with a single Dirac cone on the surface. Nature Physics, 5(6), 438-442. doi:10.1038/nphys1270 es_ES
dc.description.references Hasan, M. Z., & Kane, C. L. (2010). Colloquium: Topological insulators. Reviews of Modern Physics, 82(4), 3045-3067. doi:10.1103/revmodphys.82.3045 es_ES
dc.description.references Moore, J. E. (2010). The birth of topological insulators. Nature, 464(7286), 194-198. doi:10.1038/nature08916 es_ES
dc.description.references Xia, Y., Qian, D., Hsieh, D., Wray, L., Pal, A., Lin, H., … Hasan, M. Z. (2009). Observation of a large-gap topological-insulator class with a single Dirac cone on the surface. Nature Physics, 5(6), 398-402. doi:10.1038/nphys1274 es_ES
dc.description.references Wang, G., & Cagin, T. (2007). Electronic structure of the thermoelectric materialsBi2Te3andSb2Te3from first-principles calculations. Physical Review B, 76(7). doi:10.1103/physrevb.76.075201 es_ES
dc.description.references Chen, Y. L., Analytis, J. G., Chu, J.-H., Liu, Z. K., Mo, S.-K., Qi, X. L., … Shen, Z.-X. (2009). Experimental Realization of a Three-Dimensional Topological Insulator, Bi2Te3. Science, 325(5937), 178-181. doi:10.1126/science.1173034 es_ES
dc.description.references Badding, J. V., Meng, J. F., & Polvani, D. A. (1998). Pressure Tuning in the Search for New and Improved Solid State Materials. Chemistry of Materials, 10(10), 2889-2894. doi:10.1021/cm9802393 es_ES
dc.description.references Polvani, D. A., Meng, J. F., Chandra Shekar, N. V., Sharp, J., & Badding, J. V. (2001). Large Improvement in Thermoelectric Properties in Pressure-Tuned p-Type Sb1.5Bi0.5Te3. Chemistry of Materials, 13(6), 2068-2071. doi:10.1021/cm000888q es_ES
dc.description.references Chandra Shekar, N. V., Polvani, D. A., Meng, J. F., & Badding, J. V. (2005). Improved thermoelectric properties due to electronic topological transition under high pressure. Physica B: Condensed Matter, 358(1-4), 14-18. doi:10.1016/j.physb.2004.12.020 es_ES
dc.description.references Ovsyannikov, S. V., Shchennikov, V. V., Vorontsov, G. V., Manakov, A. Y., Likhacheva, A. Y., & Kulbachinskii, V. A. (2008). Giant improvement of thermoelectric power factor of Bi2Te3 under pressure. Journal of Applied Physics, 104(5), 053713. doi:10.1063/1.2973201 es_ES
dc.description.references Ovsyannikov, S. V., & Shchennikov, V. V. (2010). High-Pressure Routes in the Thermoelectricity or How One Can Improve a Performance of Thermoelectrics†. Chemistry of Materials, 22(3), 635-647. doi:10.1021/cm902000x es_ES
dc.description.references Li, C., Ruoff, A. L., & Spencer, C. W. (1961). Effect of Pressure on the Energy Gap of Bi2Te3. Journal of Applied Physics, 32(9), 1733-1735. doi:10.1063/1.1728426 es_ES
dc.description.references Khvostantsev, L. G., Orlov, A. I., Abrikosov, N. K., & Ivanova, L. D. (1980). Thermoelectric properties and phase transition in Sb2Te3 under hydrostatic pressure up to 9 GPa. Physica Status Solidi (a), 58(1), 37-40. doi:10.1002/pssa.2210580103 es_ES
dc.description.references Sakai, N., Kajiwara, T., Takemura, K., Minomura, S., & Fujii, Y. (1981). Pressure-induced phase transition in Sb2Te3. Solid State Communications, 40(12), 1045-1047. doi:10.1016/0038-1098(81)90248-9 es_ES
dc.description.references Khvostantsev, L. G., Orlov, A. I., Abrikosov, N. K., & Ivanova, L. D. (1985). Kinetic Properties and Phase Transitions in Sb2Te3 under Hydrostatic Pressure up to 9 GPa. physica status solidi (a), 89(1), 301-309. doi:10.1002/pssa.2210890132 es_ES
dc.description.references Thonhauser, T., Scheidemantel, T. J., Sofo, J. O., Badding, J. V., & Mahan, G. D. (2003). Thermoelectric properties ofSb2Te3under pressure and uniaxial stress. Physical Review B, 68(8). doi:10.1103/physrevb.68.085201 es_ES
dc.description.references Thonhauser, T. (2004). Influence of negative pressure on thermoelectric properties of Sb2Te3. Solid State Communications, 129(4), 249-253. doi:10.1016/j.ssc.2003.10.006 es_ES
dc.description.references Einaga, M., Tanabe, Y., Nakayama, A., Ohmura, A., Ishikawa, F., & Yamada, Y. (2010). New superconducting phase of Bi2Te3under pressure above 11 GPa. Journal of Physics: Conference Series, 215, 012036. doi:10.1088/1742-6596/215/1/012036 es_ES
dc.description.references Zhang, J. L., Zhang, S. J., Weng, H. M., Zhang, W., Yang, L. X., Liu, Q. Q., … Jin, C. Q. (2010). Pressure-induced superconductivity in topological parent compound Bi2Te3. Proceedings of the National Academy of Sciences, 108(1), 24-28. doi:10.1073/pnas.1014085108 es_ES
dc.description.references Jacobsen, M. K., Kumar, R. S., Cornelius, A. L., Sinogeiken, S. V., Nico, M. F., Elert, M., … Nguyen, J. (2008). HIGH PRESSURE X-RAY DIFFRACTION STUDIES OF Bi[sub 2−x]Sb[sub x]Te[sub 3] (x = 0,1,2). doi:10.1063/1.2833001 es_ES
dc.description.references Nakayama, A., Einaga, M., Tanabe, Y., Nakano, S., Ishikawa, F., & Yamada, Y. (2009). Structural phase transition in Bi2Te3 under high pressure. High Pressure Research, 29(2), 245-249. doi:10.1080/08957950902951633 es_ES
dc.description.references Einaga, M., Ohmura, A., Nakayama, A., Ishikawa, F., Yamada, Y., & Nakano, S. (2011). Pressure-induced phase transition of Bi2Te3to a bcc structure. Physical Review B, 83(9). doi:10.1103/physrevb.83.092102 es_ES
dc.description.references Zhu, L., Wang, H., Wang, Y., Lv, J., Ma, Y., Cui, Q., … Zou, G. (2011). Substitutional Alloy of Bi and Te at High Pressure. Physical Review Letters, 106(14). doi:10.1103/physrevlett.106.145501 es_ES
dc.description.references Itskevich, E. S., Kashirskaya, L. M., & Kraidenov, V. F. (1997). Anomalies in the low-temperature thermoelectric power of p-Bi2Te3 and Te associated with topological electronic transitions under pressure. Semiconductors, 31(3), 276-278. doi:10.1134/1.1187126 es_ES
dc.description.references Polian, A., Gauthier, M., Souza, S. M., Trichês, D. M., Cardoso de Lima, J., & Grandi, T. A. (2011). Two-dimensional pressure-induced electronic topological transition in Bi2Te3. Physical Review B, 83(11). doi:10.1103/physrevb.83.113106 es_ES
dc.description.references Vilaplana, R., Santamaría-Pérez, D., Gomis, O., Manjón, F. J., González, J., Segura, A., … Kucek, V. (2011). Structural and vibrational study of Bi2Se3under high pressure. Physical Review B, 84(18). doi:10.1103/physrevb.84.184110 es_ES
dc.description.references Richter, W., & Becker, C. R. (1977). A Raman and far-infrared investigation of phonons in the rhombohedral V2–VI3 compounds Bi2Te3, Bi2Se3, Sb2Te3 and Bi2(Te1−xSex)3 (0 <x < 1), (Bi1−ySby)2Te3 (0 <y < 1). Physica Status Solidi (b), 84(2), 619-628. doi:10.1002/pssb.2220840226 es_ES
dc.description.references Sosso, G. C., Caravati, S., & Bernasconi, M. (2009). Vibrational properties of crystalline Sb2Te3from first principles. Journal of Physics: Condensed Matter, 21(9), 095410. doi:10.1088/0953-8984/21/9/095410 es_ES
dc.description.references Dagens, L. (1978). Phonon anomaly near a Fermi surface topological transition. Journal of Physics F: Metal Physics, 8(10), 2093-2113. doi:10.1088/0305-4608/8/10/010 es_ES
dc.description.references Dagens, L., & Lopez-Rios, C. (1979). Thermodynamic properties of a metal near a Fermi surface topological transition: the anomalous electron-phonon interaction contribution. Journal of Physics F: Metal Physics, 9(11), 2195-2216. doi:10.1088/0305-4608/9/11/011 es_ES
dc.description.references Goncharov, A. ., & Struzhkin, V. . (2003). Pressure dependence of the Raman spectrum, lattice parameters and superconducting critical temperature of MgB2: evidence for pressure-driven phonon-assisted electronic topological transition. Physica C: Superconductivity, 385(1-2), 117-130. doi:10.1016/s0921-4534(02)02311-0 es_ES
dc.description.references Antonangeli, D., Farber, D. L., Said, A. H., Benedetti, L. R., Aracne, C. M., Landa, A., … Klepeis, J. E. (2010). Shear softening in tantalum at megabar pressures. Physical Review B, 82(13). doi:10.1103/physrevb.82.132101 es_ES
dc.description.references Santamaría-Pérez, D., Vegas, A., Muehle, C., & Jansen, M. (2011). Structural behaviour of alkaline sulfides under compression: High-pressure experimental study on Cs2S. The Journal of Chemical Physics, 135(5), 054511. doi:10.1063/1.3617236 es_ES
dc.description.references Vilaplana, R., Gomis, O., Manjón, F. J., Segura, A., Pérez-González, E., Rodríguez-Hernández, P., … Kucek, V. (2011). High-pressure vibrational and optical study of Bi2Te3. Physical Review B, 84(10). doi:10.1103/physrevb.84.104112 es_ES
dc.description.references Larson, P. (2006). Effects of uniaxial and hydrostatic pressure on the valence band maximum inSb2Te3: An electronic structure study. Physical Review B, 74(20). doi:10.1103/physrevb.74.205113 es_ES
dc.description.references Lošťák, P., Beneš, L., Civiš, S., & Süssmann, H. (1990). Preparation and some physical properties of Bi2−xInxSe3 single crystals. Journal of Materials Science, 25(1), 277-282. doi:10.1007/bf00544220 es_ES
dc.description.references Horák, J., Quayle, P. C., Dyck, J. S., Drašar, Č., Lošt’ák, P., & Uher, C. (2008). Defect structure of Sb2−xCrxTe3 single crystals. Journal of Applied Physics, 103(1), 013516. doi:10.1063/1.2826940 es_ES
dc.description.references Piermarini, G. J., Block, S., & Barnett, J. D. (1973). Hydrostatic limits in liquids and solids to 100 kbar. Journal of Applied Physics, 44(12), 5377-5382. doi:10.1063/1.1662159 es_ES
dc.description.references Errandonea, D., Meng, Y., Somayazulu, M., & Häusermann, D. (2005). Pressure-induced transition in titanium metal: a systematic study of the effects of uniaxial stress. Physica B: Condensed Matter, 355(1-4), 116-125. doi:10.1016/j.physb.2004.10.030 es_ES
dc.description.references Syassen, K. (2008). Ruby under pressure. High Pressure Research, 28(2), 75-126. doi:10.1080/08957950802235640 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., & Hafner, J. (1993). Ab initiomolecular dynamics for liquid metals. Physical Review B, 47(1), 558-561. doi:10.1103/physrevb.47.558 es_ES
dc.description.references Kresse, G., & Hafner, J. (1994). Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium. Physical Review B, 49(20), 14251-14269. doi:10.1103/physrevb.49.14251 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 Kresse, G., & Furthmüller, J. (1996). Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set. Physical Review B, 54(16), 11169-11186. doi:10.1103/physrevb.54.11169 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., 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 Mujica, A., Rubio, A., Muñoz, A., & Needs, R. J. (2003). High-pressure phases of group-IV, III–V, and II–VI compounds. Reviews of Modern Physics, 75(3), 863-912. doi:10.1103/revmodphys.75.863 es_ES
dc.description.references Blanco, M. A., Francisco, E., & Luaña, V. (2004). GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model. Computer Physics Communications, 158(1), 57-72. doi:10.1016/j.comphy.2003.12.001 es_ES
dc.description.references Cardona, M. (2004). Phonon widths versus pressure. High Pressure Research, 24(1), 17-23. doi:10.1080/08957950310001635819 es_ES
dc.description.references Cardona, M. (2004). Effects of pressure on the phonon–phonon and electron–phonon interactions in semiconductors. physica status solidi (b), 241(14), 3128-3137. doi:10.1002/pssb.200405202 es_ES
dc.description.references Ulrich, C., Mroginski, M. A., Goñi, A. R., Cantarero, A., Schwarz, U., Muñoz, V., & Syassen, K. (1996). Vibrational Properties of InSe under Pressure: Experiment and Theory. physica status solidi (b), 198(1), 121-127. doi:10.1002/pssb.2221980117 es_ES
dc.description.references Kulibekov, A. M., Olijnyk, H. P., Jephcoat, A. P., Salaeva, Z. Y., Onari, S., & Allakhverdiev, K. R. (2003). Raman scattering under pressure and the phase transition in ɛ-GaSe. physica status solidi (b), 235(2), 517-520. doi:10.1002/pssb.200301613 es_ES
dc.description.references Cheng, W., & Ren, S.-F. (2011). Phonons of single quintuple Bi2Te3and Bi2Se3films and bulk materials. Physical Review B, 83(9). doi:10.1103/physrevb.83.094301 es_ES
dc.description.references Buga, S. G., Serebryanaya, N. R., Dubitskiy, G. A., Semenova, E. E., Aksenenkov, V. V., & Blank, V. D. (2011). Structure and electrical properties of Sb2Te3and Bi0.4Sb1.6Te3metastable phases obtained by HPHT treatment. High Pressure Research, 31(1), 86-90. doi:10.1080/08957959.2010.523422 es_ES


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