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Machida, Akihiko*; Saito, Hiroyuki*; Sugimoto, Hidehiko*; Hattori, Takanori; Sano, Asami; Endo, Naruki*; Katayama, Yoshinori*; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.
Nature Communications (Internet), 15, p.8861_1 - 8861_2, 2024/10
Times Cited Count：0 Percentile：0.00(Multidisciplinary Sciences)In our previous article (Nature Commun. 5, 5063 (2014)), the site occupancies of D atoms dissolved in an fcc Fe metal lattice were investigated via Rietveld refinement of neutron powder diffraction patterns collected at 988 K and 6.3 GPa. The fcc metal lattice has two interstitial sites available for accommodating D atoms: octahedral and tetrahedral sites. The Rietveld refinement revealed that D atoms occupied mainly the octahedral sites with occupancy of 0.532 and slightly the tetrahedral sites with occupancy of 0.056. Subsequent density-functional-theory (DFT) calculations by Antonov (Phys. Rev. Mater. 2019)) showed that the occupation energy on the tetrahedral site was significantly higher than that on the octahedral site; the tetrahedral site occupation was unlikely to occur even at temperatures as high as 988 K. We reexamined the site occupancies of D-atom by Rietveld refinement including extinction correction. As a result, the octahedral occupancy was increased to 0.60 and the tetrahedral occupancy was reduced to zero. The occupation of only the octahedral site for D atom is consistent with the DFT calculation, although in contrast to the previous results.
Machida, Akihiko; Saito, Hiroyuki; Sugimoto, Hidehiko*; Hattori, Takanori; Sano, Asami; Endo, Naruki*; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.
Nature Communications (Internet), 5, p.5063_1 - 5063_6, 2014/09
Times Cited Count：66 Percentile：87.50(Multidisciplinary Sciences)Iron hydride FeH
, is thermodynamically stable only at high hydrogen pressure of several GPa. To investigate the hydrogenation process and hydrogen state in iron hydride, it is necessary to carry out the in-situ measurement under high pressure and high temperature. In this study, we performed the in-situ neutron diffraction measurement of Fe-D system using the high pressure neutron diffractometer PLANET in the MLF, J-PARC, and determined the deuterium occupying sites and occupancies in fcc-FeD. We found the minor occupation of tetrahedral sites under high pressure and high temperature. We considered the mechanism of the minor occupation based on the Quantum-mechanical calculation.
FeH
; Iron-containing complex hydride with high gravimetric hydrogen densitySaito, Hiroyuki; Takagi, Shigeyuki*; Matsuo, Motoaki*; Iijima, Yuki*; Endo, Naruki*; Aoki, Katsutoshi*; Orimo, Shinichi*
APL Materials (Internet), 2(7), p.076103_1 - 076103_7, 2014/07
Times Cited Count：25 Percentile：68.43(Nanoscience & Nanotechnology)
RuH
; Prospect for formation of [FeH]
anionTakagi, Shigeyuki*; Ikeshoji, Tamio*; Matsuo, Motoaki*; Sato, Toyoto*; Saito, Hiroyuki; Aoki, Katsutoshi; Orimo, Shinichi*
Applied Physics Letters, 103(11), p.113903_1 - 113903_4, 2013/09
Times Cited Count：9 Percentile：36.54(Physics, Applied); 
synchrotron radiation X-ray diffraction studySato, Ryutaro*; Saito, Hiroyuki; Endo, Naruki; Takagi, Shigeyuki*; Matsuo, Motoaki*; Aoki, Katsutoshi; Orimo, Shinichi*
Applied Physics Letters, 102(9), p.091901_1 - 091901_4, 2013/03
Times Cited Count：36 Percentile：78.51(Physics, Applied) and its synthesis; Mechanism for formation of metallic perovskiteTakagi, Shigeyuki*; Saito, Hiroyuki; Endo, Naruki; Sato, Ryutaro*; Ikeshoji, Tamio*; Matsuo, Motoaki*; Miwa, Kazutoshi*; Aoki, Katsutoshi; Orimo, Shinichi*
Physical Review B, 87(12), p.125134_1 - 125134_6, 2013/03
Times Cited Count：22 Percentile：64.80(Materials Science, Multidisciplinary)
; Adjustment of imbalanced charge by additional Li as an electron donorMatsuo, Motoaki*; Saito, Hiroyuki; Machida, Akihiko; Sato, Ryutaro*; Takagi, Shigeyuki*; Miwa, Kazutoshi*; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Orimo, Shinichi*
RSC Advances (Internet), 3(4), p.1013 - 1016, 2013/01
Times Cited Count：20 Percentile：53.53(Chemistry, Multidisciplinary)H on formation kinetics and X-ray absorption fine structure analysesMatsuo, Motoaki*; Matsumura, Daiju; Nishihata, Yasuo; Li, G.*; Hiyama, Nao*; Semboshi, Satoshi*; Orimo, Shinichi*
Applied Physics Letters, 100(4), p.044101_1 - 044101_3, 2012/01
Times Cited Count：4 Percentile：17.51(Physics, Applied)Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki; Watanuki, Tetsu; Katayama, Yoshinori; Aoki, Katsutoshi; Sato, Toyoto*; Matsuo, Motoaki*; et al.
no journal, ,
no abstracts in English
Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki*; Watanuki, Tetsu; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.
no journal, ,
Iron hydride FeH, is thermodynamically stable only at high hydrogen pressure of several GPa. Three hydride phases, bcc-FeH (
), dhcp-FeH (
), and fcc-FeH (
) were confirmed at 300-2000 K and 0-20 GPa. In situ neutron diffraction measurement on their deutrides have not been reported yet. A high pressure neutron diffractometor, PLANET, constructed at Materials and Life Science Experimental Facility at J-PARC, enables us to perform in situ neutoron diffraction measurements on deuterization process of metals at high pressure and high temperature. With PLANET, the deuteration process of iron was investigated at a pressure of about 7 GPa and temperatures up to about 1000 K. This in situ measurement was successfully made using a deuterization reaction cell developed for neutron diffraction measurement. We observed the bcc-fcc transition of pure iron around 800 K and successive deuterization of fcc-Fe around 870 K.
Saito, Hiroyuki; Takagi, Shigeyuki*; Iijima, Yuki*; Sato, Toyoto*; Matsuo, Motoaki*; Aoki, Katsutoshi*; Orimo, Shinichi*
no journal, ,
no abstracts in English
neutron diffraction measurement on the deuterization process of Fe at high temperature and high pressureMachida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki; Watanuki, Tetsu; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.
no journal, ,
no abstracts in English
FeH at high pressures and high temperaturesSaito, Hiroyuki; Takagi, Shigeyuki*; Matsuo, Motoaki*; Iijima, Yuki*; Endo, Naruki; Aoki, Katsutoshi; Orimo, Shinichi*
no journal, ,
no abstracts in English
Machida, Akihiko; Saito, Hiroyuki; Hattori, Takanori; Sano, Asami; Endo, Naruki; Watanuki, Tetsu; Katayama, Yoshinori; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.
no journal, ,
no abstracts in English
FeH under high pressure and high temperatureSaito, Hiroyuki; Takagi, Shigeyuki*; Matsuo, Motoaki*; Iijima, Yuki*; Endo, Naruki*; Aoki, Katsutoshi*; Orimo, Shinichi*
no journal, ,
no abstracts in English
HMatsumura, Daiju; Matsuo, Motoaki*; Li, G.*; Hiyama, Nao*; Semboshi, Satoshi*; Nishihata, Yasuo; Orimo, Shinichi*
no journal, ,
no abstracts in English
H by using X-ray absorption fine structureMatsumura, Daiju; Nishihata, Yasuo; Matsuo, Motoaki*; Li, G.*; Hiyama, Nao*; Semboshi, Satoshi*; Orimo, Shinichi*
no journal, ,
no abstracts in English
H by direct observation of metal-hydrogen bondingMatsumura, Daiju; Nishihata, Yasuo; Matsuo, Motoaki*; Takagi, Shigeyuki*; Orimo, Shinichi*
no journal, ,
no abstracts in English
