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Abstract
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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Details
1 National Institutes for Quantum and Radiological Science and Technology, Quantum Beam Science Research Directorate, Sayo-gun, Japan (GRID:grid.482503.8) (ISNI:0000 0004 5900 003X)
2 The University of Tokyo, Geochemical Research Center, Graduate School of Science, Bunkyo-ku, Japan (GRID:grid.26999.3d) (ISNI:0000 0001 2151 536X)
3 J-PARC Center, Japan Atomic Energy Agency, Naka, Japan (GRID:grid.20256.33) (ISNI:0000 0001 0372 1485)
4 Comprehensive Research Organization for Science and Society, Shirakata, Neutron Science and Technology Center, Naka, Japan (GRID:grid.472543.3) (ISNI:0000 0004 1776 6694)
5 Tohoku University, Institute for Materials Research, Aoba-ku, Japan (GRID:grid.69566.3a) (ISNI:0000 0001 2248 6943)
6 Tohoku University, Institute for Materials Research, Aoba-ku, Japan (GRID:grid.69566.3a) (ISNI:0000 0001 2248 6943); Tohoku University, WPI-Advanced Institute for Materials Research (AIMR), Aoba-ku, Japan (GRID:grid.69566.3a) (ISNI:0000 0001 2248 6943)