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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.
Saito, 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)Takagi, 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)Sato, 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)Takagi, 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)Matsuo, 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)Matsuo, 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
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
Saito, 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
Saito, Hiroyuki; Takagi, Shigeyuki*; Matsuo, Motoaki*; Iijima, Yuki*; Endo, Naruki*; Aoki, Katsutoshi*; Orimo, Shinichi*
no journal, ,
no abstracts in English
Matsumura, Daiju; Matsuo, Motoaki*; Li, G.*; Hiyama, Nao*; Semboshi, Satoshi*; Nishihata, Yasuo; Orimo, Shinichi*
no journal, ,
no abstracts in English
Matsumura, Daiju; Nishihata, Yasuo; Matsuo, Motoaki*; Li, G.*; Hiyama, Nao*; Semboshi, Satoshi*; Orimo, Shinichi*
no journal, ,
no abstracts in English
Matsumura, Daiju; Nishihata, Yasuo; Matsuo, Motoaki*; Takagi, Shigeyuki*; Orimo, Shinichi*
no journal, ,
no abstracts in English