Abstract
The high-pressure behavior of Li x La1/3NbO3 (x = 1/6, 1/3, 1/2, 2/3) perovskites where Li cations were substituted for the existing vacancies was studied using synchrotron X-ray diffraction. It was shown that all these materials undergo irreversible pressure-induced amorphization around 14.5 GPa regardless of the Li concentration. The Li-inserted materials were found to exhibit a standard pressure response (bulk modulus pressure derivative B 0′ ~4) when in the crystalline phase, whereas La1/3NbO3 shows a linear volume contraction versus pressure, i.e., B 0′ ~(−1). These results suggest that the structural collapse is not a consequence of cation disorder resulting from the Nb atoms (B-site) migrating to the A-site vacancies. The observed pressure response can be understood by increased occupancy of the A-sites opposing the tilting of the NbO6 octahedra. The pressure evolution of the Nb oxidation state is discussed.
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Belous AG, Didukh IR, Novosadova EB, Pashkova EV, Khomenko BS (1990) Izv Akad Nauk SSSR. Neorg Mater 26:1294
Bouvier P, Crichton WA, Boulova M, Lucazeau G (2002) X-ray diffraction study of WO3 at high pressure. J Phys Condens Matter 14:6605. doi:10.1088/0953-8984/14/26/301
Brese NE, O’Keefe M (1991) Bond-valence parameters for solids. Acta Cryst B47:192–197. doi:10.1107/S0108768190011041
Dilanian RA, Yamamoto A, Izumi F, Kamiyama T (2000) Crystal structures and resistivities of La1/3LixNbO3. Mol Cryst Liquid Cryst Sci Technol Sect A 341:225–230. doi:10.1080/10587250008026144
Galasso FS (1969) Structure, properties and preparation of perovskite-type compounds. Pergamon, Oxford
Guennou M, Bouvier P, Krikler B, Kreisel J, Haumont R, Garbarino G (2010) High-pressure investigation of CaTiO3 up to 60 GPa using X-ray diffraction and Raman spectroscopy. Phys Rev B 82:134101. doi:10.1103/PhysRevB.82.134101
Guyot F, Reynard B (1992) Pressure-induced structural modifications and amorphization in olivine compounds. Chem Geol 96:411–420. doi:10.1016/0009-2541(92)90069-H
Hammersley AP, Svensson SO, Hanfland M, Fitch AN, Hausermann D (1996) Two-dimensional detector software: from real detector to idealised mage or two-theta scan. High Press Res 14:235–248. doi:10.1080/08957959608201408
Howard CJ, Zhang Z (2003) Structures and phase transition in the layered perovskite La0.6Sr0.1TiO3: a new orthorhombic structure solved from high-resolution diffraction in combination with group theoretical analysis. J Phys Condens Matter 15:4543. doi:10.1088/0953-8984/15/26/304
Howard CJ, Zhang Z (2004) Structure for perovskites with layered ordering of A-site cations. Acta Cryst B60:249–251. doi:10.1107/S0108768104003714
Kawakami Y, Ikuta H, Wakihara MJ (1998) Ionic conduction of lithium for Perovskite-type compounds, Li x La(1 − x)/3NbO3 and (Li0.25La0.25)1 − xSr0.5xNbO3. Solid State Electrochem 2:206–210. doi:10.1007/s100080050089
Kennedy BJ, Howard CJ, Kubota Y, Kato K (2004) Phase transition behaviour in the A-site deficient perovskite oxide La1/3NbO3. J Solid State Chem 177:4552–4556. doi:10.1016/j.jssc.2004.08.047
Mitchell RH (2002) Perovskites: modern and ancient. Almaz Press, Thunder Bay
Mumme WG, Grey IE, Roth RS, Vanderah TA (2007) Contrasting oxide crystal chemistry of Nb and Ta: the structures of the hexagonal bronzes BaTa2O6 and Ba0.93Nb2.03O6. J Solid State Chem 180:2429–2436. doi:10.1016/j.jssc.2007.06.014
Nadiri A, Le Flem G, Delmas C (1988) Lithium intercalation in Ln1/3NbO3 perovskite-type phases (Ln = La, Nd). J Solid State Chem 73(2):338–347. doi:10.1016/0022-4596(88)90118-1
Nakayama M, Imaki K, Ikuta H, Uchimoto Y, Wakihara M (2002) Electrochemical lithium insertion for perovskite oxides of LiyLa(1 − y)/3NbO3 (y = 0, 0.1, 0.25). J Phys Chem B 106:6437–6441. doi:10.1021/jp0258659
Nakayama M, Ikuta H, Uchimoto Y, Wakihara M, Terada Y, Miyanaga Y, Watanabe I (2003a) Changes in local structure during electrochemical Li insertion into A-site deficient perovskite oxides, La1/3NbO3. J Phys Chem B 107:10715–10721. doi:10.1021/jp034262+
Nakayama M, Imaki K, Ra W, Ikuta H, Uchimoto Y, Wakihra M (2003b) Using X-ray absorption spectroscopy to measure changes of electronic structure accompanying lithium insertion into the perovskite type oxides. Chem Mater 15:1728–1733. doi:10.1021/cm020741u
Nakayama M, Wakihara M, Kobayashi Y, Miyashiro H (2005) Investigation on the arrangement of lithium ions in Li x La1/3NbO3 with perovskite structure. J Phys Chem B 109:14648–14653. doi:10.1021/jp052142r
Nakayama M, Shirakawa J, Wakihara M (2006) Ab initio density functional study on changes in local structure in perovskite compound, LixLa1/3NbO3. Solid State Ion 177:1259–1266. doi:10.1016/j.ssi.2006.06.028
Navrotsky A, Weidner DJ (1989) Perovskite: a structure of great interest to geophysics and material science. American Geophysical Union, Washington
Noked O, Yakovlev S, Greenberg Y, Garbarino G, Shuker R, Avdeev M, Sterer E (2011) Pressure-induced amorphization of La1/3NbO3. J Non-cryst Solids 357:3334–3337. doi:10.1016/j.jnoncrysol.2011.05.030
Noked O, Melchior A, Shuker R, Livneh T, Steininger R, Kennedy BJ, Sterer E (2013a) Pressure-induced amorphization of La1/3TaO3. J Solid State Chem 202:38–42. doi:10.1016/j.jssc.2013.03.007
Noked O, Melchior A, Shuker R, Steininger R, Kennedy BJ, Sterer E (2013) Pressure-induced amorphization of A-site-deficient double perovskite Ln1/3MO3 (Ln = Pr, Nd, M = Nb, Ta). Phys Chem Min 1–9. doi:10.1007/s00269-013-0622-4
Rao CNR, Raveau B (1998) Transition metal oxides, 2nd edn. VCH, New York
Rodrí-guez-Carvajal J (1993) Recent advances in magnetic structure determination by neutron powder diffraction. Phys B 192:55–69. doi:10.1016/0921-4526(93)90108-I
Scrosati B (1995) Challenge of portable power. Nature 373:557–558. doi:10.1038/373557a0
Shannon RD (1976) Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Cryst A 32:751–767. doi:10.1107/S0567739476001551
Sterer E, Pasternak MP, Taylor RD (1990) A multipurpose miniature diamond anvil cell. Rev Sci Instrum 61:1117. doi:10.1063/1.1141433
Tejuco LG, Fierro JLG (1993) Properties and applications of perovskite-type oxides. Marcel Dekker, New York
Trzesowska A, Kruszynski R, Tadeusz J, Bartczak J (2004) New bond-valence parameters for lanthanides. Acta Cryst B60:174–178. doi:10.1107/S0108768104002678
Vinet P, Rose JH, Ferrante J, Smith JR (1989) Universal features of the equation of state of solids. J Phys Condens Matter 1:1941. doi:10.1088/0953-8984/1/11/002
Wakihara M, Guohua L, Ikuta H (1998) A review of positive electrode materials for lithium-ion batteries. In: Wakihara M, Yamamoto O (eds) Lithium ion batteries, chap 2. Kodansha, Tokyo
Williams Q, Knittle E, Reichlin R, Martin S, Jeanloz R (1990) Structural and electronic properties of Fe2SiO4–fayalite at ultrahigh pressures: amorphization and gap closure. J Geophys Res Solid Earth 95:21549–21563. doi:10.1029/JB095iB13p21549
Woodward PM (1997) Octahedral tilting in perovskites. II. Structure stabilizing forces. Acta Cryst B53:44–66. doi:10.1107/S0108768196012050
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Portions of this research were carried out at beamline P02.2 of the light source PETRA III at DESY, a member of the Helmholtz Association (HGF).
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Noked, O., Melchior, A., Shuker, R. et al. High-pressure structural studies of Li x La1/3NbO3 (x = 1/6, 1/3, 1/2, 2/3). Phys Chem Minerals 41, 333–340 (2014). https://doi.org/10.1007/s00269-013-0652-y
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DOI: https://doi.org/10.1007/s00269-013-0652-y