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Ikeda, Kazutaka*; Sashida, Sho*; Otomo, Toshiya*; Oshita, Hidetoshi*; Honda, Takashi*; Hawai, Takafumi*; Saito, Hiraku*; Ito, Shinichi*; Yokoo, Tetsuya*; Sakaki, Koji*; et al.
International Journal of Hydrogen Energy, 51(Part A), p.79 - 87, 2024/01
Times Cited Count：0 Percentile：0.01(Chemistry, Physical)
and TiH
up to 21 GPa by incoherent inelastic neutron scatteringHattori, Takanori; Nakamura, Mitsutaka; Iida, Kazuki*; Machida, Akihiko*; Sano, Asami; Machida, Shinichi*; Arima, Hiroshi*; Oshita, Hidetoshi*; Honda, Takashi*; Ikeda, Kazutaka*; et al.
Physical Review B, 106(13), p.134309_1 - 134309_9, 2022/10
Times Cited Count：0 Percentile：0(Materials Science, Multidisciplinary)Hydrogen vibration excitations of fluorite-type ZrH and TiH were investigated up to 21 GPa and 4 GPa, respectively, by incoherent inelastic neutron scattering experiments. The first excitation energies increased with pressure, as described by the equations 
(meV) = 141.4(2) + 1.02(2)
(GPa) and (meV) = 149.4(1) + 1.21(8)(GPa) for ZrH and TiH, respectively. Coupling with pressure dependence of lattice parameters, the relations between metal-hydrogen distance (
) and are found to be well described by the equations (meV) = 1.62(9)
10
(
(meV) = 1.47(21) 10 
(AA), respectively. The slopes of these curves are much steep compared to the previously reported trend in various fluorite-type metal hydrides at ambient pressure. The hydrogen wave function spreading showed that the local potential field for a hydrogen atom shrinks more intensively than the tetrahedral site. These behavior is likely caused by the rigid metal ion core and the resulting confinement of the hydrogen atom in the narrower potential field at high pressures.
He neutron spin filter at J-PARCOkudaira, Takuya; Oku, Takayuki; Ino, Takashi*; Hayashida, Hirotoshi*; Kira, Hiroshi*; Sakai, Kenji; Hiroi, Kosuke; Takahashi, Shingo*; Aizawa, Kazuya; Endo, Hitoshi*; et al.
Nuclear Instruments and Methods in Physics Research A, 977, p.164301_1 - 164301_8, 2020/10
Times Cited Count：10 Percentile：79.13(Instruments & Instrumentation)Nakajima, Kenji; Kawakita, Yukinobu; Ito, Shinichi*; Abe, Jun*; Aizawa, Kazuya; Aoki, Hiroyuki; Endo, Hitoshi*; Fujita, Masaki*; Funakoshi, Kenichi*; Gong, W.*; et al.
Quantum Beam Science (Internet), 1(3), p.9_1 - 9_59, 2017/12
The neutron instruments suite, installed at the spallation neutron source of the Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex (J-PARC), is reviewed. MLF has 23 neutron beam ports and 21 instruments are in operation for user programs or are under commissioning. A unique and challenging instrumental suite in MLF has been realized via combination of a high-performance neutron source, optimized for neutron scattering, and unique instruments using cutting-edge technologies. All instruments are/will serve in world-leading investigations in a broad range of fields, from fundamental physics to industrial applications. In this review, overviews, characteristic features, and typical applications of the individual instruments are mentioned.
Machida, Akihiko; Honda, Mitsunori*; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Oshita, Hidetoshi*; Ikeda, Kazutaka*; Otomo, Toshiya*
Hamon, 23(2), p.131 - 136, 2013/05
Recently, we have revealed formation of NaCl-type LaD using synchrotron radiation X-ray diffraction and neutron diffraction measurements under high pressure. Previously, we have found that LaH
decomposes into two phases, which have different hydrogen compositions, the H-poor and H-rich phases, at 11 GPa at room temperature by synchrotron radiation X-ray diffraction. Recent neutron diffraction measurements on LaD confirmed the formation of a NaCl-type LaD as the D-poor phase. This is the first observation of a formation of the rare-earth metal monodeuteride. Present result indicates that that rare-earth metal can form a series of stoichiometric hydrides, such as mono-, di-, and trihydride with the fcc metal lattice.
Machida, Akihiko; Honda, Mitsunori*; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Arima, Hiroshi*; Oshita, Hidetoshi*; et al.
Physical Review Letters, 108(20), p.205501_1 - 205501_5, 2012/05
Times Cited Count：17 Percentile：67.41(Physics, Multidisciplinary)Hydrogen atoms absorbed in a metal occupy the interstitial sites of the metal lattice. In an fcc metal lattice, each metal atom has two tetrahedral (T) and one octahedral (O) sites that can accommodate hydrogen. Rare-earth metal La forms T-site occupied LaH and fully occupied LaH
. O-site occupied or NaCl-type monohydride has yet to be reported for rare-earth metals. Previous X-ray diffraction measurements revealed the pressure-induced decomposition of an fcc-LaH
into H-rich and H-poor phases around 11 GPa. The present neutron diffraction measurements on LaD confirm the formation of NaCl-type LaD as a counterpart of the D-rich LaD
by disproportionation. First-principle calculations demonstrate that the NaCl-type LaH is stabilized at high pressures. Finding the NaCl-type LaH will pave the way for investigations on the site-dependent nature of hydrogen-metal interactions.
Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Machida, Akihiko; Katayama, Yoshinori; Arima, Hiroshi; Komatsu, Kazuki*; Oshita, Hidetoshi*; Otomo, Toshiya*
no journal, ,
no abstracts in English
Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Machida, Akihiko; Katayama, Yoshinori; Arima, Hiroshi; Komatsu, Kazuki*; Oshita, Hidetoshi*; Otomo, Toshiya*
no journal, ,
no abstracts in English
study by high pressure neutron diffraction using NOVA at J-PARCHonda, Mitsunori; Hattori, Takanori; Sano, Asami; Machida, Akihiko; Katayama, Yoshinori; Arima, Hiroshi; Komatsu, Kazuki*; Oshita, Hidetoshi*; Otomo, Toshiya*
no journal, ,
no abstracts in English
Honda, Mitsunori; Hattori, Takanori; Machida, Akihiko; Arima, Hiroshi; Sano, Asami; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Oshita, Hidetoshi*; Otomo, Toshiya*
no journal, ,
no abstracts in English
Honda, Mitsunori; Hattori, Takanori; Machida, Akihiko; Arima, Hiroshi; Sano, Asami; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Oshita, Hidetoshi*; Otomo, Toshiya*
no journal, ,
no abstracts in English
Aoki, Katsutoshi; Machida, Akihiko; Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Komatsu, Kazuki*; Arima, Hiroshi; Otomo, Toshiya*; et al.
no journal, ,
Neutron diffraction measurements have revealed that LaD undergoes phase separation at high pressure with the relocation of deuterium atoms in the interstitial sites of La metal lattice. Deuterium atoms, which occupy the tetrahedral sites of the fcc metal lattice in LaD, move into the empty octahedral sites at 11 GPa to form LaD and LaD
both having fcc metal lattices. Mono-hydride with an NaCl structure, which is common for mono-hydrides of transition metals, is formed in rare-earth metals for the first time. The first-principle calculations showed that LaH is stable at low pressure and it undergoes a phase separation into LaH and LaH at 10 GPa, which is excellent agreement with the experimental results. Enthalpy comparison shows that unusual volume contraction in LaH than LaH explains the phase separation phenomena. Lattice dynamics calculations on these lanthanum hydrides shed light on the detailed mechanism.
Aoki, Katsutoshi; Machida, Akihiko; Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Komatsu, Kazuki*; Arima, Hiroshi; Otomo, Toshiya*; et al.
no journal, ,
Synchrotron X-ray and neutron diffraction measurements have revealed that LaD undergoes phase separation at high pressure with the relocation of deuterium atoms in the interstitial sites of La metal lattice. Synchrotron X-ray and neutron experiments were made at BL22XU, SPring-8 and a total scattering device, NOVA, J-PARC. Deuterium atoms, which occupy the tetrahedral sites of the fcc metal lattice in LaD, move into the empty octahedral sites at 11 GPa to form LaD and LaD both having fcc metal lattices. Mono-hydride with an NaCl structure, which is common for mono-hydrides of transition metals, is formed in rare-earth metals for the first time. The first-principle calculations showed that LaH is stable at low pressure and it undergoes a phase separation into LaH and LaH at 10 GPa, which is excellent agreement with the experimental results.
Machida, Akihiko; Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Arima, Hiroshi; Oshita, Hidetoshi*; et al.
no journal, ,
Formation of an NaCl-type mono-deuteride LaD has been found by neutron diffraction experiments at high pressure. The NaCl-type structure has been reported for alkaline hydrides and transition metal hydrides, but not for rare-earth metal hydrides. The NaCl-type mono-hydride is formed in rare-earth metals for the first time. Lanthanum mono-deuteride is formed as a result of the phase separation of the di-deuteride under high pressure. This result suggests that the three different hydrides, mono-, di-, and tri-hydrides, with the fcc metal lattice are realized. The hydrogen atoms occupy only O-sites, only T-sites and both O-sites and T-sites in the mono-, di-, and tri-hydrides, respectively. Hence, it is expected that the H-M bonding nature is different for each hydride.
Honda, Mitsunori; Hattori, Takanori; Machida, Akihiko; Sano, Asami; Katayama, Yoshinori; Aoki, Katsutoshi; Arima, Hiroshi; Komatsu, Kazuki*; Oshita, Hidetoshi*; Otomo, Toshiya*
no journal, ,
High-pressure neutron diffraction experiments were performed for LaD2 with a total scattering spectrometer NOVA at J-PARC. Rietveld analysis of an ambient pressure profile of a powder sample yielded a lattice constant a=5.652(2) and hydrogen occupancies 0.94(4) at T-site and 0.09(6) at O-site. We obtained diffraction profiles at ten pressure conditions from 0.1 to 17 GPa. The peak splitting arising from the tetragonal distortion increased in magnitude on further compression to the phase separation pressure of 11 GPa. A similar lattice distortion has been reported for superstoichiometric LaH2+ in which excess H atoms occupy the O-sites to make the cubic lattice distorted. Partial transfer of the T-site D atoms into the O-sites in LaD2 is one possible cause for the distortion. The microscopic mechanism of the cubic-tetragonal structural transition and the following phase separation will be discussed on the basis of the refined structural parameters.
Machida, Akihiko; Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Arima, Hiroshi; Oshita, Hidetoshi*; et al.
no journal, ,
We have investigated the pressure-induced phase separation in rare-earth metal dihydrides by synchrotron radiation X-ray diffraction and neutron diffraction experiments. The phase separation has been observed at about 11 GPa in the lanthanum dihydride. The neutron diffraction experiments have revealed that an NaCl-type mono-deuteride is formed as a counterpart of the deuterium-rich phase. This result suggests that the three different hydrides, mono-, di-, and tri-hydrides, with the fcc metal lattice are realized. Hence, it is expected that the site-dependence of the H-M bonding nature will be able to investigate.
Machida, Akihiko; Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Komatsu, Kazuki*; Arima, Hiroshi; Oshita, Hidetoshi*; et al.
no journal, ,
We have investigated the pressure-induced phase separation in rare-earth metal dihydrides by synchrotron radiation X-ray diffraction and neutron diffraction experiments. Rare-earth metal hydrides exhibit the stoichiometoric dihydride and trihydride. The dihydride is a metallic while trihydride is an insulator. Recently, we have found the pressure induced phase separation in the lanthanum dihydride. This phenomenon is understood as the decomposition into the hydrogen-poor and rich phases under high pressure. However, the hydrogen occupancy and position have been unclear yet. Our neutron diffraction experiments have revealed that an NaCl-type mono-deuteride is formed as a counterpart of the deuterium-rich phase.
and formatiom of monodeuteride LaDMachida, Akihiko; Honda, Mitsunori*; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Arima, Hiroshi*; Komatsu, Kazuki*; Oshita, Hidetoshi*; et al.
no journal, ,
no abstracts in English
Honda, Mitsunori*; Machida, Akihiko; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Arima, Hiroshi*; Komatsu, Kazuki*; Oshita, Hidetoshi*; et al.
no journal, ,
no abstracts in English
Aoki, Katsutoshi; Machida, Akihiko; Honda, Mitsunori; Hattori, Takanori; Sano, Asami; Watanuki, Tetsu; Katayama, Yoshinori; Komatsu, Kazuki*; Arima, Hiroshi; Otomo, Toshiya*; et al.
no journal, ,
Rare-earth metal La forms T-site occupied fcc-LaH and fully occupied fcc-LaH, the former is metallic and the latter is insulating. Our previous synchrotron X-ray and infrared measurements revealed that the dihydride decomposed into hydrogen-rich and hydrogen-poor phases upon compression to 11 GPa at ambient temperature; the hydrogen rich phase was identified as LaH but the hydrogen composition and occupation sites of the hydrogen-poor phase remained undetermined. The crystal structure of the hydrogen-poor phase was investigated for LaD by neutron diffraction measurement with a total diffractometer NOVA at J-PARC. The formation of NaCl-type LaD as a counterpart of LaD by the decomposition was confirmed from the diffraction profiles. First-principle enthalpy and lattice dynamic calculations have demonstrated that the NaCl-type LaH is stabilized at high pressures.
