Structural Explanation of the Dielectric Enhancement of Barium Titanate Nanoparticles Grown under Hydrothermal Conditions

Suzana, Ana F.; Liu, Sizhan; Diao, Jiecheng; Wu, Longlong; Assefa, Tadesse A.; Abeykoon, Milinda; Harder, Ross; Cha, Wonsuk; Bozin, Emil S.; Robinson, Ian K.

doi:10.1002/adfm.202208012

Structural Explanation of the Dielectric Enhancement of Barium Titanate Nanoparticles Grown under Hydrothermal Conditions

Journal Article · Sat Mar 18 00:00:00 EDT 2023 · Advanced Functional Materials

DOI:https://doi.org/10.1002/adfm.202208012· OSTI ID:1962164

^[1]; Liu, Sizhan ^[2]; Diao, Jiecheng ^[3]; Wu, Longlong ^[1]; Assefa, Tadesse A. ^[1]; Abeykoon, Milinda ^[4]; Harder, Ross ^[5]; Cha, Wonsuk ^[5]; Bozin, Emil S. ^[1]; Robinson, Ian K. ^[6]

Condensed Matter Physics and Materials Science Division Brookhaven National Laboratory Upton NY 11973 USA
Energy Storage Division Interdisciplinary Science Department, Brookhaven National Laboratory Upton NY 11973 USA
London Centre for Nanotechnology University College London London WC1E 6BT UK
Photon Sciences Division Brookhaven National Laboratory Upton NY 11973 USA
Advanced Photon Source Argonne National Laboratory Lemont IL 60439 USA
Condensed Matter Physics and Materials Science Division Brookhaven National Laboratory Upton NY 11973 USA, London Centre for Nanotechnology University College London London WC1E 6BT UK

Abstract

When synthesized under certain conditions, barium titanate (BaTiO ₃ , BTO) nanoparticles are found to have the non‐thermodynamic cubic structure at room temperature. These particles also have a several‐fold enhanced dielectric constant, sometimes exceeding 6000, and are widely used in thin‐layer capacitors. A hydrothermal approach is used to synthesize BTO nanocrystals, which are characterized by a range of methods, including X‐ray Rietveld refinement and the Williamson–Hall approach, revealing the presence of significant inhomogeneous strain associated with the cubic phase. However, X‐ray pair distribution function measurements clearly show the local structure is lower symmetry than cubic. This apparent inconsistency is resolved by examining 3D Bragg coherent diffraction images of selected nanocrystals, which show the existence of ≈50 nm‐sized domains, which are interpreted as tetragonal twins, and yet cause the average crystalline structure to appear cubic. The ability of these twin boundaries to migrate under the influence of electric fields explains the dielectric anomaly for the nanocrystalline phase.

View Journal Article

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Argonne National Laboratory (ANL), Argonne, IL (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: Engineering and Physical Sciences Research Council (EPSRC); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; SC0012704

OSTI ID:: 1962164

Alternate ID(s):: OSTI ID: 1961998
OSTI ID: 1962166
OSTI ID: 2281909

Report Number(s):: BNL-224140-2023-JAAM; 2208012

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 19 Vol. 33; ISSN 1616-301X

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (42)

Domain Wall Displacement is the Origin of Superior Permittivity and Piezoelectricity in BaTiO ₃ at Intermediate Grain Sizes Ghosh, Dipankar; Sakata, Akito; Carter, Jared Advanced Functional Materials, Vol. 24, Issue 7 https://doi.org/10.1002/adfm.201301913	journal	September 2013
Shape-controlled growth of SrTiO3 polyhedral submicro/nanocrystals Dong, Lingqing; Shi, Hui; Cheng, Kui Nano Research, Vol. 7, Issue 9 https://doi.org/10.1007/s12274-014-0495-y	journal	August 2014
X-ray line broadening from filed aluminium and wolfram Williamson, G. K.; Hall, W. H. Acta Metallurgica, Vol. 1, Issue 1 https://doi.org/10.1016/0001-6160(53)90006-6	journal	January 1953
Characterization of barium titanate fine powders formed from hydrothermal crystallization Vivekanandan, R.; Kutty, T. R. N. Powder Technology, Vol. 57, Issue 3 https://doi.org/10.1016/0032-5910(89)80074-9	journal	March 1989
Linear disorder and temperature dependence of Raman scattering in BaTiO3 Fontana, M. P.; Lambert, M. Solid State Communications, Vol. 10, Issue 1 https://doi.org/10.1016/0038-1098(72)90334-1	journal	January 1972
Preparation and characterizations of tetragonal barium titanate powders by hydrothermal method Xu, Huarui; Gao, Lian; Guo, Jinkun Journal of the European Ceramic Society, Vol. 22, Issue 7 https://doi.org/10.1016/S0955-2219(01)00425-3	journal	July 2002
Influence of the synthesis method on the preparation of barium titanate nanoparticles Prado, L. R.; de Resende, N. S.; Silva, R. S. Chemical Engineering and Processing: Process Intensification, Vol. 103 https://doi.org/10.1016/j.cep.2015.09.011	journal	May 2016
Raman study of barium titanate with oxygen vacancies Zhang, W. H.; Chen, L.; Tao, Y. T. Physica B: Condensed Matter, Vol. 406, Issue 24 https://doi.org/10.1016/j.physb.2011.09.046	journal	December 2011
Hydrothermal synthesis of nanosized BaTiO powders and dielectric properties of corresponding ceramics Boulos, M.; Guillemetfritsch, S.; Mathieu, F. Solid State Ionics, Vol. 176, Issue 13-14 https://doi.org/10.1016/j.ssi.2005.02.024	journal	April 2005
Probing Local Dipoles and Ligand Structure in BaTiO ₃ Nanoparticles Page, Katharine; Proffen, Thomas; Niederberger, Markus Chemistry of Materials, Vol. 22, Issue 15 https://doi.org/10.1021/cm100440p	journal	August 2010
Characterization of Submicron Particles of Tetragonal BaTiO₃ Asiaie, Reza; Zhu, Weidong; Akbar, Sheikh A. Chemistry of Materials, Vol. 8, Issue 1 https://doi.org/10.1021/cm950327c	journal	January 1996
Structures of the ferroelectric phases of barium titanate Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L. The Journal of Physical Chemistry, Vol. 97, Issue 10 https://doi.org/10.1021/j100112a043	journal	March 1993
Structural Evolution of BaTiO ₃ Nanocrystals Synthesized at Room Temperature Rabuffetti, Federico A.; Brutchey, Richard L. Journal of the American Chemical Society, Vol. 134, Issue 22 https://doi.org/10.1021/ja303184w	journal	May 2012
Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field Karpov, D.; Liu, Z.; Rolo, T. dos Santos Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00318-9	journal	August 2017
A simple, room temperature, solid-state synthesis route for metal oxide nanostructures Patil, Supriya A.; Shinde, Dipak V.; Ahn, Do Young J. Mater. Chem. A, Vol. 2, Issue 33 https://doi.org/10.1039/C4TA02267J	journal	January 2014
Thermodynamic analysis of phase stability of nanocrystalline titania Zhang, Hengzhong; Banfield, Jillian F. Journal of Materials Chemistry, Vol. 8, Issue 9 https://doi.org/10.1039/a802619j	journal	January 1998
Hydrothermal synthesis and characterisation of BaTiO3 fine powders: precursors, polymorphism and properties Clark, Iain J.; Takeuchi, Tomanari; Ohtori, Noikazu Journal of Materials Chemistry, Vol. 9, Issue 1 https://doi.org/10.1039/a805756g	journal	January 1999
Size and temperature induced phase transition behaviors of barium titanate nanoparticles Hoshina, Takuya; Kakemoto, Hirofumi; Tsurumi, Takaaki Journal of Applied Physics, Vol. 99, Issue 5 https://doi.org/10.1063/1.2179971	journal	March 2006
Composite structure and size effect of barium titanate nanoparticles Hoshina, Takuya; Wada, Satoshi; Kuroiwa, Yoshihiro Applied Physics Letters, Vol. 93, Issue 19 https://doi.org/10.1063/1.3027067	journal	November 2008
Dielectric properties of fine‐grained barium titanate ceramics Arlt, G.; Hennings, D.; de With, G. Journal of Applied Physics, Vol. 58, Issue 4 https://doi.org/10.1063/1.336051	journal	August 1985
Grain size effect on the nonlinear dielectric properties of barium titanate ceramics Curecheriu, Lavinia; Buscaglia, Maria Teresa; Buscaglia, Vincenzo Applied Physics Letters, Vol. 97, Issue 24 https://doi.org/10.1063/1.3526375	journal	December 2010
The effect of grain size on the permittivity of BaTiO₃ Bell, A. J.; Moulson, A. J.; Cross, L. E. Ferroelectrics, Vol. 54, Issue 1 https://doi.org/10.1080/00150198408215837	journal	April 1984
Nanotwins in BaTiO₃nanocrystals Hamada, Etsuo; Cho, Woo-Seok; Takayanagi, Kunio Philosophical Magazine A, Vol. 77, Issue 5 https://doi.org/10.1080/01418619808214253	journal	May 1998
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
New modalities of strain-control of ferroelectric thin films Damodaran, Anoop R.; Agar, Joshua C.; Pandya, Shishir Journal of Physics: Condensed Matter, Vol. 28, Issue 26 https://doi.org/10.1088/0953-8984/28/26/263001	journal	May 2016
Microwave irradiation assisted, one pot synthesis of simple and complex metal oxide nanoparticles: a general approach Brahma, Sanjaya; Liu, Chuan-Pu; Shivashankar, S. A. Journal of Physics D: Applied Physics, Vol. 50, Issue 40 https://doi.org/10.1088/1361-6463/aa82e2	journal	September 2017
The Scherrer Formula for X-Ray Particle Size Determination Patterson, A. L. Physical Review, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRev.56.978	journal	November 1939
Grain-size effect on structure and phase transformations for barium titanate Frey, M. H.; Payne, D. A. Physical Review B, Vol. 54, Issue 5 https://doi.org/10.1103/PhysRevB.54.3158	journal	August 1996
High-pressure Raman studies of polycrystalline BaTiO 3 Venkateswaran, Uma D.; Naik, Vaman M.; Naik, Ratna Physical Review B, Vol. 58, Issue 21 https://doi.org/10.1103/PhysRevB.58.14256	journal	December 1998
Emergence of Long-Range Order in BaTiO 3 from Local Symmetry-Breaking Distortions Senn, M. S.; Keen, D. A.; Lucas, T. C. A. Physical Review Letters, Vol. 116, Issue 20 https://doi.org/10.1103/PhysRevLett.116.207602	journal	May 2016
Evolution of ferroelastic domain walls during phase transitions in barium titanate nanoparticles Diao, Jiecheng; Shi, Xiaowen; Assefa, Tadesse A. Physical Review Materials, Vol. 4, Issue 10 https://doi.org/10.1103/PhysRevMaterials.4.106001	journal	October 2020
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions Juhás, P.; Davis, T.; Farrow, C. L. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813005190	journal	March 2013
The fast azimuthal integration Python library: pyFAI Ashiotis, Giannis; Deschildre, Aurore; Nawaz, Zubair Journal of Applied Crystallography, Vol. 48, Issue 2 https://doi.org/10.1107/S1600576715004306	journal	March 2015
Novel silica stabilization method for the analysis of fine nanocrystals using coherent X-ray diffraction imaging Monteforte, Marianne; Estandarte, Ana K.; Chen, Bo Journal of Synchrotron Radiation, Vol. 23, Issue 4 https://doi.org/10.1107/S1600577516006408	journal	June 2016
New tools for calibrating diffraction setups Kieffer, J.; Valls, V.; Blanc, N. Journal of Synchrotron Radiation, Vol. 27, Issue 2 https://doi.org/10.1107/S1600577520000776	journal	February 2020
Phenomenological Theory of High Permittivity in Fine-Grained Barium Titanate Buessem, W. R.; Cross, L. E.; Goswami, A. K. Journal of the American Ceramic Society, Vol. 49, Issue 1 https://doi.org/10.1111/j.1151-2916.1966.tb13144.x	journal	January 1966
Atomic-Scale Characterization of Barium Titanate Powders Formed by the Hydrothermal Process Zhu, Xinhua; Wang, Junyi; Zhang, Zhenghai Journal of the American Ceramic Society, Vol. 91, Issue 3 https://doi.org/10.1111/j.1551-2916.2007.02227.x	journal	March 2008
Ferroelectricity at the Nanoscale: Local Polarization in Oxide Thin Films and Heterostructures Ahn, C. H. Science, Vol. 303, Issue 5657 https://doi.org/10.1126/science.1092508	journal	January 2004
Enhancement of piezoelectric constant d33 in BaTiO3 ceramics due to nano-domain structure Shen, Zong-Yang; Li, Jing-Feng Journal of the Ceramic Society of Japan, Vol. 118, Issue 1382 https://doi.org/10.2109/jcersj2.118.940	journal	January 2010
Size effect of barium titanate: fine particles and ceramics Hoshina, Takuya Journal of the Ceramic Society of Japan, Vol. 121, Issue 1410 https://doi.org/10.2109/jcersj2.121.156	journal	January 2013
The ferroelectric phase transition in a 500 nm sized single particle of BaTiO₃ tracked by coherent X-ray diffraction Oshime, Norihiro; Ohwada, Kenji; Machida, Akihiko Japanese Journal of Applied Physics, Vol. 61, Issue SN https://doi.org/10.35848/1347-4065/ac7d94	journal	July 2022
Nanoparticle Structure by Coherent X-ray Diffraction Robinson, Ian Journal of the Physical Society of Japan, Vol. 82, Issue 2 https://doi.org/10.7566/JPSJ.82.021012	journal	February 2013

Similar Records

Related Subjects

36 MATERIALS SCIENCE
90 degree domain walls
90° domain walls
barium titanate
Bragg coherent diffraction imaging
dielectric enhancement
nanoparticles
Bragg coherent diffraction imaging
barium titanate
dielectric enhancement
nanoparticles

Structural Explanation of the Dielectric Enhancement of Barium Titanate Nanoparticles Grown under Hydrothermal Conditions

Citation Formats

References (42)

Similar Records

Related Subjects