Investigation of organic matter in the Allende meteorite using scanning transmission X-ray microscope at photon factory

第6回極域科学シンポジウム[OA] 南極隕石11月16日（月）　国立極地研究所１階交流アトリウ

Neural Structure Fields with Application to Crystal Structure Autoencoders

Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications involving crystal structure estimation. Among these applications, the inverse design of materials can contribute to next-generation methods that explore materials with desired properties without relying on luck or serendipity. We propose neural structure fields (NeSF) as an accurate and practical approach for representing crystal structures using neural networks. Inspired by the concepts of vector fields in physics and implicit neural representations in computer vision, the proposed NeSF considers a crystal structure as a continuous field rather than as a discrete set of atoms. Unlike existing grid-based discretized spatial representations, the NeSF overcomes the tradeoff between spatial resolution and computational complexity and can represent any crystal structure. To evaluate the NeSF, we propose an autoencoder of crystal structures that can recover various crystal structures, such as those of perovskite structure materials and cuprate superconductors. Extensive quantitative results demonstrate the superior performance of the NeSF compared with the existing grid-based approach.Comment: 16 pages , 6 figures. 13 pages Supplementary Informatio

Electronic Structure and Electron Correlation in LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x

Photoemission spectroscopy is used to investigate the electronic structure of the newly discovered iron-based superconductors LaFeAsO_{1-x}F_x and LaFePO_{1-x}F_x. Line shapes of the Fe 2p core-level spectra suggest an itinerant character of Fe 3d electrons. The valence-band spectra are generally consistent with band-structure calculations except for the shifts of Fe 3d-derived peaks toward the Fermi level. From spectra taken in the Fe 3p -> 3d core-absorption region, we have obtained the experimental Fe 3d partial density of states, and explained it in terms of a band-structure calculation with a phenomenological self-energy correction, yielding a mass renormalization factor of ~< 2.Comment: 4 pages, 5 figure

Enhancement of perpendicular exchange bias by introducing twin boundary in Pt/Co/α-Cr₂O₃/α-V₂O₃ epitaxial film

Perpendicular exchange anisotropy at the Co/α-Cr₂O₃ interface was investigated using the two types of films: the film with the single crystalline α-Cr₂O₃ and that with the twinned a-Cr₂O₃. Exchange anisotropy energy density JK of the film with the single crystalline α-Cr₂O₃ was ~0.09 erg/cm² whereas JK of the film with the twinned α-Cr₂O₃ was ~0.43 erg/cm², more than 4-times enhancement. We discussed the mechanism of the enhancement of JK based on the exchange coupling at the twin boundary and that the spin frustration at the twin boundary can be the origin of the enhancement of JK.Y.Shiratsuchi, S.Yoshida, S.Onoue, et al. Enhancement of perpendicular exchange bias by introducing twin boundary in Pt/Co/a-Cr₂O₃/a-V₂O₃ epitaxial film. Materials Transactions 60, 2028 (2019); https://doi.org/10.2320/matertrans.MT-M2019102

Determination of specific ion positions of Cr³⁺ and O²- in Cr₂O₃ thin films and their relationship to exchange anisotropy at Co/Cr₂O₃ interfaces

The structures of antiferromagnetic Cr₂O₃(0001) thin films with perpendicular exchange bias were investigated using reflection high-energy electron diffraction, X-ray reflectivity, and synchrotron X-ray diffraction. We mainly investigated the specific ion positions of Cr³⁺ and O²- in the corundum structure and discussed their relationship to the magnetic anisotropy of Cr₂O₃. The Cr₂O₃(0001) thin film grown on a Pt(111) buffer layer exhibited a perpendicular exchange anisotropy density of 0.42 mJ/m², in which the Cr³⁺ position is the primary factor in the enhancement of magnetic anisotropy due to dipolar-interaction. In contrast, the single-crystalline Cr₂O₃(0001) film grown on a α-Al₂O₃(0001) substrate featured a low exchange magnetic anisotropy of 0.098 mJ/m². In this film, the Cr³⁺ position parameter is an insignificant factor, leading to low magnetic anisotropy. The O²- ion position also differs between the two types of films, which can affect both the magnetic anisotropy energy originating from fine structures and the magneto-electric properties of Cr₂O₃.Yu Shiratsuchi, Yuuta Nakano, Nobuhito Inami, Tetsuro Ueno, Kanta Ono, Reiji Kumai, Ryoko Sagayama, and Ryoichi Nakatani, Journal of Applied Physics 123, 103903 (2018); https://doi.org/10.1063/1.5020620