X-ray absorption spectroscopy and magnetocaloric study of PrSrCoO (00.5)

Matsumura, Daiju; Tsuji, Takuya; Yoshii, Kenji

Materials Chemistry and Physics, 238, p.121885_1 - 121885_5, 2019/12

https://doi.org/10.1016/j.matchemphys.2019.121885

We have conducted X-ray absorption spectroscopy study for perovskite cobaltite PrSrCoO (00.5) to understand Sr doping effect and magnetocaloric measurement for PrSrCoO to reveal the origin of magnetic anomaly at around 110 K. The extended X-ray absorption fine structure (EXAFS) measurements at the Co -edge suggest that the average valence value of Co ions increases, the interatomic distance of Co-O bonding decreases, and the local distortion of CoO octahedron increases as Sr is doped in PrCoO. The interatomic distance of Co-O bonding shrinks more greatly for the larger doping region. No temperature dependent electronic and structural changes were observed from Co -edge X-ray absorption spectra in the whole thermal range studied (17-300 K). The magnetocaloric effect of PrSrCoO indicates the change of magnetic structure at 110 K.

Electronic structure of UTe studied by photoelectron spectroscopy

Fujimori, Shinichi; Kawasaki, Ikuto; Takeda, Yukiharu; Yamagami, Hiroshi; Nakamura, Ai*; Homma, Yoshiya*; Aoki, Dai*

Journal of the Physical Society of Japan, 88(10), p.103701_1 - 103701_5, 2019/10

https://doi.org/10.7566/JPSJ.88.103701

Quantum optimal control of rovibrational excitations of a diatomic alkali halide: one-photon vs. two-photon processes

Kurosaki, Yuzuru*; Yokoyama, Keiichi

Universe (Internet), 5(5), p.109_1 - 109_15, 2019/05

https://doi.org/10.3390/universe5050109

Regarding rovibrational transitions of diatomic alkali haride molecules, optimal waveform of laser electric field was calculated on the basis of the optimal control theory. In this study, we implemented the polarizability term into the Hamiltonian, which defines the field-molecule interaction. As a result, we obtained waveforms causing both one- and two-photon processes in a relatively high electric field regime, while waveforms causing only one-photon process was observed in a weak filed regime as well as the previous study. These results imply that the effect of two-photon process is successfully taken into account in the optimal control theory calculation. Now we can expect more reliable calculation even for strong laser field.

Electrochemical adsorption on Pt nanoparticles in alkaline solution observed using in situ high energy resolution X-ray absorption spectroscopy

Kusano, Shogo*; Matsumura, Daiju; Ishii, Kenji*; Tanaka, Hirohisa*; Mizuki, Junichiro*

Nanomaterials (Internet), 9(4), p.642_1 - 642_14, 2019/04

https://doi.org/10.3390/nano9040642

Synchrotron radiation based XAFS analysis of the simulated nuclear waste glass samples prepared by bottom drain test in the full-scale mock-up melter (KMOC) (Contract research)

Okamoto, Yoshihiro; Nagai, Takayuki; Shiwaku, Hideaki; Kano, Shigeru; Himeno, Haruyuki*; Kobayashi, Hiroshi*; Nakatani, Mikio*

JAEA-Research 2018-013, 18 Pages, 2019/03

JAEA-Research-2018-013.pdf:1.98MB

The chemical state and local structure of some elements in the simulated nuclear waste glass samples (20 batches) prepared by bottom drain test in the full scale mock-up tests using KMOC melter were investigated by synchrotron radiation based X-ray absorption fine structure (XAFS) analysis. As a result of the analysis of cerium element, it was confirmed that the oxidation proceeds gently as the batch advanced. For manganese, iron, and zinc, there was almost no difference between batches, which seemed to be stabilized by getting into the frame structure of the borosilicate glass. There were no elements that seemed to be clearly crystalline except for platinum group elements. Remarkable precipitation was hardly observed in zirconium and molybdenum with the imaging analysis.

A Quasiclassical trajectory calculation to compute the reaction cross section and thermal rate constant for the cesium exchange reaction CsI + Cs Cs + ICs

Kobayashi, Takanori*; Matsuoka, Leo*; Yokoyama, Keiichi

Computational and Theoretical Chemistry, 1150, p.40 - 48, 2019/02

https://doi.org/10.1016/j.comptc.2019.01.008

One of important research targets in the development of cesium isotope separation system is design of recovery process of cesium atom. Relevant to this research target, the reaction cross section and reaction rate constant of a cesium exchange reaction through collision of the cesium iodide molecules with cesium atoms are calculated by a quasi-classical trajectory calculation based on a potential energy surface obtained by quantum chemistry calculations. Consequently, the rate constant is calculated to be 3.6 10 cmmolecules, as large as collision rate in the present condition. In addition, slightly positive temperature dependence is observed in the rate constant. This behavior is explained with the long-range attractive force and effect of subsequent dissociation process.

Divalent EuRhSi as a reference for the Luttinger theorem and antiferromagnetism in trivalent heavy-fermion YbRhSi

Gttler, M.*; Generalov, A.*; Fujimori, Shinichi; Kummer, K.*; Chikina, A.*; Seiro, S.*; Danzenbcher, S.*; Koroteev, Yu. M.*; Chulkov, E. V.*; Radovic, M.*; et al.

Nature Communications (Internet), 10(1), p.796_1 - 796_7, 2019/02

https://doi.org/10.1038/s41467-019-08688-y

In Situ Time-Resolved XAFS Studies on Laser-induced Particle Formation of Palladium Metal in an Aqueous/EtOH solution

Saeki, Morihisa*; Matsumura, Daiju; Yomogida, Takumi; Taguchi, Tomitsugu*; Tsuji, Takuya; Saito, Hiroyuki*; Oba, Hironori*

Journal of Physical Chemistry C, 123(1), p.817 - 824, 2019/01

https://doi.org/10.1021/acs.jpcc.8b09532

Reaction kinetics of laser-induced particle formation in an aqueous solution of PdCl was investigated by transmission electron microscope (TEM) and dispersive X-ray absorption fine structure (DXAFS). The Pd particle was generated by irradiation of nanosecond pulsed 266-nm laser. The TEM observation showed dependence of the particle size on the laser fluence and promotion of the particle growth by irradiation of high-fluence laser. The DXAFS data give us the Pd concentration. Temporal changes of the Pd concentration analyzed based on Finke-Watzky two step mechanism. The analysis elucidates that the laser photon contributes to the reduction of the PdCl ion by the one-photon process and to the autocatalytic growth of the Pd particles by the multi-photon process.

Contribution to upgrade of vitrification technology by synchrotron radiation analysis; From Chemical state analysis of waste glass to development of structural analysis to prove soundness

Okamoto, Yoshihiro; Nagai, Takayuki; Shiwaku, Hideaki

Yoyuen Oyobi Koon Kogaku, 62(1), p.11 - 17, 2019/01

The vitrified radioactive waste is a multicomponent material containing many kinds of elements. Synchrotron radiation XAFS with element selectivity is suitable for analysis of elements in the waste. From the XAFS analysis, the chemical state and the local structure of each element were clarified. Imaging XAFS technique was used as an analysis based on element distribution in the glass. The imaging XAFS is effective for analysis of elements that are less soluble in the glass like molybdenum and platinum group elements. It was clarified from the simultaneous imaging XAFS analyses of multiple elements that the chemical form of rhodium is strongly dominated by the distribution correlation with ruthenium. We proposed multi - scale structural analyses with wide angle scattering, PDF analysis, small angle scattering in order to evaluate the soundness of the vitrified waste.

Local structure study of the iron-based systems of BaFeAs and LiFeAs by X-ray PDF and XAFS analyses

Li, S.*; Toyoda, Masayuki*; Kobayashi, Yoshiaki*; Ito, Masayuki*; Ikeuchi, Kazuhiko*; Yoneda, Yasuhiro; Otani, Akira*; Matsumura, Daiju; Asano, Shun*; Mizuki, Junichiro*; et al.

Physica C, 555, p.45 - 53, 2018/12

https://doi.org/10.1016/j.physc.2018.10.003

-dependence of local distortions in BaFeAs and LiFeAs by X-ray PDF and XAFS methods. Although PDF data exhibit anomaly at the structure transition temperature, EXAFS data exhibit no anomaly. Data supporting the local orthorhombicity at 300 K in the tetragonal phase for BaFeAs. Arguments on the origins of the 4-fold symmetry breaking in the ground average structure of the tetragonal phase.