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論文

Configuration and dynamics of hydride ions in the nitride-hydride catalyst Ca$$_{3}$$CrN$$_{3}$$H

Fine, L.*; Lav$'{e}$n, R.*; Wei, Z.*; 津森 竜也*; 陰山 洋*; 梶本 亮一; Jimen$'{e}$z-Ruiz, M.*; Koza, M. M.*; Karlsson, M.*

Chemistry of Materials, 37(1), p.489 - 496, 2024/12

 被引用回数:2 パーセンタイル:23.26

We report results on the configuration and vibrational dynamics of hydride-ions (H$$^{-}$$) in the novel nitridehydride catalyst Ca$$_{3}$$CrN$$_{3}$$H, by means of variable temperature inelastic neutron scattering (INS) experiments, harmonic phonon calculations, and machine-learning molecular dynamics (MLMD) calculations. The combined analyses of experimental and theoretical data show that the vibrational dynamics of H$$^{-}$$ are manifested as a broad, asymmetric vibrational band between 80 and 130 meV. Crucially, these modes are polarized along the crystallographic $$c$$ axis, and their dispersive character reveals significant interactions between neighbouring H$$^{-}$$ in the material. We find that most H$$^{-}$$ are surrounded by two other H$$^{-}$$ and that the H$$^{-}$$ sites of the studied sample have an occupancy of at least 95%. We argue that this high H$$^{-}$$ occupancy may be related to the material's high efficiency as a catalyst for ammonia synthesis.

論文

Quantum critical spin-liquid-like behavior in the $$S$$ = $$frac{1}{2}$$ quasikagome-lattice compound CeRh$$_{1-x}$$Pd$$_x$$Sn investigated using muon spin relaxation and neutron scattering

Tripathi, R.*; Adroja, D. T.*; Ritter, C.*; Sharma, S.*; Yang, C.*; Hillier, A. D.*; Koza, M. M.*; Demmel, F.*; Sundaresan, A.*; Langridge, S.*; et al.

Physical Review B, 106(6), p.064436_1 - 064436_17, 2022/08

 被引用回数:10 パーセンタイル:58.35(Materials Science, Multidisciplinary)

We present the results of muon spin relaxation ($$mu$$SR) and neutron scattering measurements on the Ce-based quasikagome lattice CeRh$$_{1-x}$$Pd$$_x$$Sn ($$x$$ = 0.1 to 0.75). Our $$mu$$SR results reveal the absence of both static long-range magnetic order and spin freezing down to 0.05 K in the $$x$$ = 0.1 sample, which is consistent with neutron scattering results. The weak temperature-dependent plateaus of the dynamic spin fluctuations below 0.2 K in zero field together with its longitudinal-field (LF) dependence indicate the presence of dynamic spin fluctuations persisting even at 0.05 K without static magnetic order. We argue that such a behavior for $$x$$ = 0.1 can be attributed to a metallic spin-liquid-like ground state near the quantum critical point in the frustrated Kondo lattice. The LF-$$mu$$SR study suggests that the out of kagome plane spin fluctuations are responsible for the spin-liquid behavior.

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