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Journal Articles

Nanoscale structural analysis of ferroelectrics using pair distribution function

Yoneda, Yasuhiro

JSAP Review (Internet), 2023, p.230202_1 - 230202_7, 2023/00

It is important to determine whether a sample is a single phase or not in order to improve the quality of ferroelectrics. Therefore, we have succeeded in developing a detection method for trace amounts of segregated phases by using two-body correlation distribution function (PDF) in addition to X-ray diffraction, which has been conventionally used to detect impurities. In the X-ray diffraction pattern of the BaTiO$$_3$$-BiFeO$$_3$$ solid solution, it appears as a single phase with a rhombohedral structure. However, when the PDF was calculated from the obtained diffraction pattern, it was found that not only the component derived from the rhombohedral crystal structure calculated from the average structure but also the BaTiO$$_3$$ component was mixed and segregated. By using PDF in this way, it has become possible to detect fine segregation phases on the order of nanoscale.

Journal Articles

Nanoscale structural analysis of ferroelectrics using pair distribution function

Yoneda, Yasuhiro

Oyo Butsuri, 91(12), p.729 - 735, 2022/12

It is important to determine whether a sample is a single phase or not in order to improve the quality of ferroelectrics. Therefore, we have succeeded in developing a detection method for trace amounts of segregated phases by using two-body correlation distribution function (PDF) in addition to X-ray diffraction, which has been conventionally used to detect impurities. In the X-ray diffraction pattern of the BaTiO$$_3$$-BiFeO$$_3$$ solid solution, it appears as a single phase with a rhombohedral structure. However, when the PDF was calculated from the obtained diffraction pattern, it was found that not only the component derived from the rhombohedral crystal structure calculated from the average structure but also the BaTiO$$_3$$ component was mixed and segregated. By using PDF in this way, it has become possible to detect fine segregation phases on the order of nanoscale.

Journal Articles

Local structure analysis of BiFeO$$_3$$-BaTiO$$_3$$ solid solutions

Yoneda, Yasuhiro; Kim, S.*; Mori, Shigeo*; Wada, Satoshi*

Japanese Journal of Applied Physics, 61(SN), p.SN1022_1 - SN1022_10, 2022/11

 Times Cited Count:1 Percentile:17.38(Physics, Applied)

Local structural analysis of the (1-${it x}$) BiFeO$$_3$$-${it x}$BaTiO$$_3$$ solid solution was performed by PDF analysis of the data obtained in the synchrotron radiation high-energy X-ray diffraction experiment. First, when XAFS experiments were performed and sample screening was performed, it was found that structural fluctuations were large in the BiFeO$$_3$$-rich composition. Therefore, PDF analysis of a sample with BiFeO$$_3$$-rich composition was performed. As a result, it was found that although the average structure is a cubic structure, the local structure can be reproduced with a rhombohedral crystal structure, and there is a displacement that breaks the symmetry of the rhombohedral structure in a composition with a large fluctuation.

Journal Articles

Structure and properties of amorphous magnesium carbonate, a key material for geological storage of carbon dioxide

Kyono, Atsushi*; Yamamoto, Genichiro*; Yoneda, Yasuhiro; Okada, Satoru*

Isotope News, (783), p.23 - 27, 2022/10

Mineral traps are attracting attention as an underground storage method for carbon dioxide. Carbon dioxide laden groundwater reacts with basalt to form magnesite. The formed magnesium carbonate phase varies in many ways, but we tried to clarify the structure because all of them pass through amorphous magnesium carbonate. Pair distribution function using high-energy X-ray diffraction revealed that amorphous magnesium carbonate has a structure similar to that of hydromagnesite. It can be said that it is a safe sequestration method as a carbon dioxide storage technology.

Journal Articles

Influences of hydration-dehydration on local structure in layered perovskite LaSr$$_{3}$$Fe$$_{3}$$O$$_{10}$$

Yagi, Yutaro*; Wakita, Yudai*; Kagomiya, Isao*; Matsue, Ikuya*; Kakimoto, Kenichi*; Matsumura, Daiju; Yoneda, Yasuhiro

ChemistrySelect (Internet), 7(21), p.e202104575_1 - e202104575_7, 2022/06

 Times Cited Count:0 Percentile:0(Chemistry, Multidisciplinary)

Journal Articles

Optimizing TiO$$_2$$ through water-soluble Ti complexes as raw material for controlling particle size and distribution of synthesized BaTiO$$_3$$ nanocubes

Nakashima, Koichi*; Hironaka, Kota*; Ouchi, Kazuma*; Ajioka, Mao*; Kobayashi, Yoshio*; Yoneda, Yasuhiro; Yin, S.*; Kakihana, Masato*; Sekino, Toru*

ACS Omega (Internet), 6(48), p.32517 - 32527, 2021/12

 Times Cited Count:5 Percentile:38.19(Chemistry, Multidisciplinary)

The BaTiO $$_3$$ nanoparticles synthesized by the hydrothermal method is examined by synchrotron X-ray and TEM observation. It was found that the particle size of synthesized BaTiO$$_3$$ depends on the particle size of the raw material of TiO$$_2$$. Succeeded in synthesizing 100 nm size BaTiO$$_3$$ nanocrystals showing uniform particle size distribution using TiO$$_2$$ nanoparticles with optimized particle size. The obtained BaTiO$$_3$$ nanocrystal is a tetragonal system of ferroelectric phase. A three-dimensional structure of BaTiO$$_3$$ nanoparticles could be obtained by the electron beam tomography.

Journal Articles

Nanoscale structural analysis of Bi$$_{0.5}$$Na$$_{0.5}$$TiO$$_3$$ in high-temperature phases

Yoneda, Yasuhiro; Noguchi, Yuji*

Japanese Journal of Applied Physics, 60(SF), p.SFFA08_1 - SFFA08_10, 2021/11

 Times Cited Count:4 Percentile:36.85(Physics, Applied)

Bi$$_{0.5}$$Na$$_{0.5}$$TiO$$_3$$ (abbreviated as BNT) is a lead-free material but exhibits relatively large piezoelectric properties, a lot of researches have been conducted. We performed local structural analysis using high-quality BNT with a stoichiometrically correct composition, and found a chemical order structure of Bi/Na in locally. BNT undergoes a phase transition to a cubic phase at 400$$^{circ}$$C. We estimated that a new disorder structure will appear in the high-temperature phase. In the high temperature phase, pair distribution function (PDF) analysis using synchrotron radiation high-energy X-rays was performed. As a result, we found that Bi shifts from 200$$^{circ}$$C, and this shift becomes an order parameter for the phase transition.

Journal Articles

Chapter 15, Local structure analysis by PDF method

Yoneda, Yasuhiro; Ohara, Koji*

Fummatsu X-sen Kaiseki No Jissai, Dai-3-Han, p.272 - 286, 2021/08

In recent material development, not only conventional crystal structure analysis but also pair distribution function (PDF) analysis is increasingly used. This chapter (Chapter 15) deals with PDF analysis of crystalline materials using data obtained from synchrotron radiation powder X-ray diffraction experiments.

Journal Articles

Stabilization of size-controlled BaTiO$$_3$$ nanocubes via precise solvothermal crystal growth and their anomalous surface compositional reconstruction

Nakashima, Koichi*; Onagi, Kaito*; Kobayashi, Yoshio*; Ishigaki, Toru*; Ishikawa, Yoshihisa*; Yoneda, Yasuhiro; Yin, S.*; Kakihana, Masato*; Sekino, Toru*

ACS Omega (Internet), 6(14), p.9410 - 9425, 2021/04

 Times Cited Count:9 Percentile:59.91(Chemistry, Multidisciplinary)

We succeeded in synthesizing barium titanate nanocubes by hydrothermal synthesis. When the nanocubes were examined in detail using a scanning electron microscope, pulsed neutrons, and large synchrotron radiation, it was found that a reconstituted layer of titanium oxide was formed on the surface.

Journal Articles

Nanoscale structural analysis of Pb(Mg$$_{1/3}$$Nb$$_{2/3}$$)O$$_3$$

Yoneda, Yasuhiro; Taniguchi, Hiroki*; Noguchi, Yuji*

Journal of Physics; Condensed Matter, 33(3), p.035401_1 - 035401_8, 2021/01

 Times Cited Count:4 Percentile:33.7(Physics, Condensed Matter)

Nanoscale structural analysis of relaxor Pb(Mg$$_{1/3}$$Nb$$_{2/3}$$)O$$_3$$ (PMN) was performed using synchrotron high-energy X-ray diffraction measurements. Although PMN is a well-known relaxor ferroelectric material, the average structure is a cubic structure, and various models have been proposed to explain the ferroelectric microstructure. We performed a wide-range local structure analysis up to 20 nm using the pair distribution function (PDF). As a result, it was found that the structure of PMN changed depending on the distance and it was a glass-like structure.

Journal Articles

Nanoscale structural analysis of Bi$$_{0.5}$$Na$$_{0.5}$$TiO$$_3$$

Yoneda, Yasuhiro; Noguchi, Yuji*

Japanese Journal of Applied Physics, 59(SP), p.SPPA01_1 - SPPA01_7, 2020/11

 Times Cited Count:19 Percentile:77.9(Physics, Applied)

We investigate A-site cation ordering in the ferroelectric perovskite Bi$$_{0.5}$$Na$$_{0.5}$$TiO$$_3$$ (BNT) by synchrotron X-ray total scattering. Although BNT has a problem of a low depolarization temperature, it is promising a lead-free piezoelectric material. Since the depolarization temperature is presumed to correspond to a relaxer like gradual order-disorder phase transition, local structure analysis is necessary to understand the structure of the diorder phase. Through this approach, the elusive connection between chemical heterogeneity and structural heterogeneity is revealed. Because of the large randomness, the Ti off-center shift is averaged out beyond the unit cell and the structure becomes very close to the average structure beyond the unit cell.

Journal Articles

Synchrotron radiation-based techniques available at JAEA advanced characterization nanotechnology platform (Japan Atomic Energy Agency)

Yoneda, Yasuhiro; Yoshigoe, Akitaka; Takeda, Yukiharu; Shiwaku, Hideaki; Matsumura, Daiju; Shobu, Takahisa; Tamura, Kazuhisa

Materia, 58(12), p.763 - 769, 2019/12

This is an introduction to the equipment provided for each implementation period belonging to the structure analysis platform in the nanotechnology platform.

Journal Articles

Short- and middle-ranges order structures of KNbO$$_3$$ nanocrystals

Yoneda, Yasuhiro; Kunisada, Ryoichi*; Chikada, Tsukasa*; Ueno, Shintaro*; Fujii, Ichiro*; Nagata, Hajime*; Ohara, Koji*; Wada, Satoshi*

Japanese Journal of Applied Physics, 58(SL), p.SLLA03_1 - SLLA03_7, 2019/11

 Times Cited Count:4 Percentile:21.91(Physics, Applied)

Journal Articles

Synthesis of new perovskite-type oxyfluorides, BaInO$$_{2}$$F and comparison of the structure among perovskite-type oxyfluorides

Katsumata, Tetsuhiro*; Suzuki, Ryo*; Sato, Naoto*; Suzuki, Shumpei*; Nakashima, Mamoru*; Inaguma, Yoshiyuki*; Mori, Daisuke*; Aimi, Akihisa*; Yoneda, Yasuhiro

Journal of Solid State Chemistry, 279, p.120919_1 - 120919_8, 2019/11

 Times Cited Count:8 Percentile:47.78(Chemistry, Inorganic & Nuclear)

Journal Articles

Relation between the structure and tolerance factor for perovskite-type oxyfluorides

Katsumata, Tetsuhiro*; Inaguma, Nobuyuki*; Mori, Daisuke*; Aimi, Akihisa*; Yoneda, Yasuhiro

Seramikkusu, 54(9), p.629 - 632, 2019/09

Crystal structure analysis of ABO$$_3$$ perovskite-type oxyfluoride were performed by using high-energy synchrotron X-ray measurement. The effect of tolerance factor appeared in the local structure. The average structure of perovskite-type oxyfluoride found to be a cubic structure in the traditional crystal structure analysis.

Journal Articles

Local structure analysis of PbTiO$$_3$$ in high-temperature cubic phase

Yoneda, Yasuhiro; Taniguchi, Hiroki*; Kitanaka, Yuki*; Noguchi, Yuji*

Ferroelectrics, 538(1), p.57 - 62, 2019/05

 Times Cited Count:5 Percentile:27.39(Materials Science, Multidisciplinary)

High-energy X-ray diffraction study was performed on lead titanate (PbTiO$$_3$$). Short-range order structure was revealed using atomic pair-distribution function (PDF) method. In the high-temperature cubic phase, there is a large deviation between local and average structure. Especially, Pb atoms deviated from the cubic lattice framework, but establish Pb-O-Pb random network.

Journal Articles

Observation of simulated fuel debris using synchrotron radiation

Yoneda, Yasuhiro; Harada, Makoto; Takano, Masahide

Transactions of the Materials Research Society of Japan, 44(2), p.61 - 64, 2019/04

We performed three-dimensional observation of simulated fuel debris using Synchrotron Computed Tomography (CT). CT was used to make the inside of fuel debris clear. The CT observation provides that a clear contrast in the zirconia rich part and concrete rich part. Zirconia heavier than concrete moved to the lower part when crystals precipitate and aggregates near the bottom surface. As a result, phase separation occurs. The phase separation is caused by the difference in the composition ratio of zirconia, and can also be observed difference in crystal growth mode by composition ratio.

Journal Articles

Local structure study of the iron-based systems of BaFe$$_2$$As$$_2$$ and LiFeAs by X-ray PDF and XAFS analyses

Li, S.*; Toyoda, Masayuki*; Kobayashi, Yoshiaki*; Ito, Masayuki*; Ikeuchi, Kazuhiko*; Yoneda, Yasuhiro; Otani, Akira*; Matsumura, Daiju; Asano, Shun*; Mizuki, Junichiro*; et al.

Physica C, 555, p.45 - 53, 2018/12

 Times Cited Count:1 Percentile:5.02(Physics, Applied)

${it T}$-dependence of local distortions in BaFe$$_2$$As$$_2$$ and LiFeAs by X-ray PDF and XAFS methods. Although PDF data exhibit anomaly at the structure transition temperature, EXAFS data exhibit no anomaly. Data supporting the local orthorhombicity at 300 K in the tetragonal phase for BaFe$$_2$$As$$_2$$. Arguments on the origins of the 4-fold symmetry breaking in the ground average structure of the tetragonal phase.

Journal Articles

Local structure and phase transitions of KNbO$$_3$$

Yoneda, Yasuhiro; Ohara, Koji*; Nagata, Hajime*

Japanese Journal of Applied Physics, 57(11S), p.11UB07_1 - 11UB07_6, 2018/11

 Times Cited Count:15 Percentile:59.6(Physics, Applied)

Local structure analysis of KNbO$$_3$$, which is the parent compound for lead-free piezoelectric materials, have been performed by X-ray pair-distribution functions (PDF). The refinements of local structure in wide temperature ranges indicates that only the rhombohedral structure can describe the observed bond distributions within the unit cell. The rhombohedral distortion maintained locally in all four phases.

Journal Articles

Local structure analysis of KNbO$$_3$$ nanocrystals with cubic shape

Yoneda, Yasuhiro; Kunisada, Ryoichi*; Chikada, Tsukasa*; Ueno, Shintaro*; Ohara, Koji*; Wada, Satoshi*

Transactions of the Materials Research Society of Japan, 43(2), p.93 - 96, 2018/04

KNbO$$_3$$ nanocrystals were grown by solvothermal technique assisted by a microwave treatment. We performed high-energy X-ray diffraction to extract average and local structural parameters. The particle size can be evaluated by the Scherrer's equation. The unit cell size was reduced as the particle size increased. The local structure was found to be a rhombohedral structure, which was similar to that of the bulk KNbO$$_3$$.

207 (Records 1-20 displayed on this page)