TY - JOUR
T1 - Crystal and Magnetic Structures of Double Hexagonal Close-Packed Iron Deuteride
AU - Saitoh, Hiroyuki
AU - Machida, Akihiko
AU - Iizuka-Oku, Riko
AU - Hattori, Takanori
AU - Sano-Furukawa, Asami
AU - Funakoshi, Ken ichi
AU - Sato, Toyoto
AU - Orimo, Shin ichi
AU - Aoki, Katsutoshi
N1 - Funding Information:
Neutron diffraction experiments were performed under proposal no. 2017B0127 in J-PARC. High-pressure hydrogenation conditions of iron were preliminary investigated using in situ synchrotron radiation X-ray diffraction at BL14B1, SPring-8 (2015A3602 and 2015B3602). This work was supported by the JAEA under the remit of “Nanotechnology Platform” of MEXT, Japan (grant number JPMXP09A20QSA15AE0033), the Grants-in-aid for Scientific Research of Japan Society for the Promotion of Science (grant numbers 24241032, 25220911 and 18H05224).
Publisher Copyright:
© 2020, The Author(s).
PY - 2020/12/1
Y1 - 2020/12/1
N2 - Neutron powder diffraction profiles were collected for iron deuteride (FeDx) while the temperature decreased from 1023 to 300 K for a pressure range of 4–6 gigapascal (GPa). The ε′ deuteride with a double hexagonal close-packed (dhcp) structure, which coexisted with other stable or metastable deutrides at each temperature and pressure condition, formed solid solutions with a composition of FeD0.68(1) at 673 K and 6.1 GPa and FeD0.74(1) at 603 K and 4.8 GPa. Upon stepwise cooling to 300 K, the D-content x increased to a stoichiometric value of 1.0 to form monodeuteride FeD1.0. In the dhcp FeD1.0 at 300 K and 4.2 GPa, dissolved D atoms fully occupied the octahedral interstitial sites, slightly displaced from the octahedral centers in the dhcp metal lattice, and the dhcp sequence of close-packed Fe planes contained hcp-stacking faults at 12%. Magnetic moments with 2.11 ± 0.06 μB/Fe-atom aligned ferromagnetically in parallel on the Fe planes.
AB - Neutron powder diffraction profiles were collected for iron deuteride (FeDx) while the temperature decreased from 1023 to 300 K for a pressure range of 4–6 gigapascal (GPa). The ε′ deuteride with a double hexagonal close-packed (dhcp) structure, which coexisted with other stable or metastable deutrides at each temperature and pressure condition, formed solid solutions with a composition of FeD0.68(1) at 673 K and 6.1 GPa and FeD0.74(1) at 603 K and 4.8 GPa. Upon stepwise cooling to 300 K, the D-content x increased to a stoichiometric value of 1.0 to form monodeuteride FeD1.0. In the dhcp FeD1.0 at 300 K and 4.2 GPa, dissolved D atoms fully occupied the octahedral interstitial sites, slightly displaced from the octahedral centers in the dhcp metal lattice, and the dhcp sequence of close-packed Fe planes contained hcp-stacking faults at 12%. Magnetic moments with 2.11 ± 0.06 μB/Fe-atom aligned ferromagnetically in parallel on the Fe planes.
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U2 - 10.1038/s41598-020-66669-4
DO - 10.1038/s41598-020-66669-4
M3 - Article
C2 - 32555226
AN - SCOPUS:85086693228
SN - 2045-2322
VL - 10
JO - Scientific Reports
JF - Scientific Reports
IS - 1
M1 - 9934
ER -