arXiv subjects

Tetsuo Okane

Publications and source records attributed to Tetsuo Okane.

14 recordsLinked to original sources

arXiv2024

ARIM-mdx Data System: Towards a Nationwide Data Platform for Materials Science

In modern materials science, effective and high-volume data management across leading-edge experimental facilities and world-class supercomputers is indispensable for cutting-edge research. However, existing integrated systems that handle data from these resources have primarily focused just on smaller-scale cross-institutional or single-domain operations. As a result, they often lack the scalability, efficiency, agility, and interdisciplinarity, needed for handling substantial volumes of data from various researchers. In this paper, we introduce ARIM-mdx data system, aiming at a nationwide data platform for materials science in Japan. Currently in its trial phase, the platform has been involving 11 universities and institutes all over Japan, and it is utilized by over 800 researchers from around 140 organizations in academia and industry, being intended to gradually expand its reach. The ARIM-mdx data system, as a pioneering nationwide data platform, has the potential to contribute to the creation of new research communities and accelerate innovations.

cs.DC↗

arXiv2019

Manifestation of electron correlation effect in $\mathrm{U}~5f$ states of uranium compounds revealed by $\mathrm{U}~4d-5f$ resonant photoemission spectroscopy

We have elucidated the nature of the electron correlation effect in uranium compounds by imaging the partial $\mathrm{U}~5f$ density of states (pDOS) of typical itinerant, localized, and heavy fermion uranium compounds by using the $\mathrm{U}~4d-5f$ resonant photoemission spectroscopy. Obtained $\mathrm{U}~5f$ pDOS exhibit a systematic trend depending on the physical properties of compounds. The coherent peak at the Fermi level can be described by the band-structure calculation, but an incoherent peak emerges on the higher binding energy side ($\lesssim 1~\mathrm{eV}$) in the \Uf pDOS of localized and heavy fermion compounds. As the $\mathrm{U}~5f$ state is more localized, the intensity of the incoherent peak is enhanced and its energy position is shifted to higher binding energy. These behaviors are consistent with the prediction of the Mott metal-insulator transition, suggesting that the Hubbard-$U$ type mechanism takes an essential role in the $5f$ electronic structure of actinide materials.

cond-mat.str-el↗

arXiv2017

Electronic structures of UX$_3$ (X=Al, Ga, and In) studied by photoelectron spectroscopy

The electronic structures of UX$_3$ (X=Al, Ga, and In) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl$_3$ and UGa$_3$ were revealed experimentally by angle-resolved photoelectron spectroscopy (ARPES), and they were compared with the result of band-structure calculations. The topologies of the Fermi surfaces and the band structures of UAl$_3$ and UGa$_3$ were explained reasonably well by the calculation, although bands near the Fermi level ($E_\mathrm{F}$) were renormalized owing to the finite electron correlation effect. The topologies of the Fermi surfaces of UAl$_3$ and UGa$_3$ are very similar to each other, except for some minor differences. Such minor differences in their Fermi surface or electron correlation effect might take an essential role in their different magnetic properties. No significant changes were observed between the ARPES spectra of UGa$_3$ in the paramagnetic and antiferromagnetic phases, suggesting that UGa$_3$ is an itinerant weak antiferromagnet. The effect of chemical pressure on the electronic structures of UX$_3$ compounds was also studied by utilizing the smaller lattice constants of UAl$_3$ and UGa$_3$ than that of UIn$_3$. The valence band spectrum of UIn$_3$ is accompanied by a satellite-like structure on the high-binding-energy side. The core-level spectrum of UIn$_3$ is also qualitatively different from those of UAl$_3$ and UGa$_3$. These findings suggest that the U~$5f$ states in UIn$_3$ are more localized than those in UAl$_3$ and UGa$_3$.

cond-mat.str-el↗

arXiv2017

Electronic structure of ThRu2Si2 studied by angle-resolved photoelectron spectroscopy: Elucidating the contribution of U 5f states in URu2Si2

The electronic structure of ThRu2Si2 was studied by angle-resolved photoelectron spectroscopy (ARPES) with incident photon energies of hn=655-745 eV. Detailed band structure and the three-dimensional shapes of Fermi surfaces were derived experimentally, and their characteristic features were mostly explained by means of band structure calculations based on the density functional theory. Comparison of the experimental ARPES spectra of ThRu2Si2 with those of URu2Si2 shows that they have considerably different spectral profiles particularly in the energy range of 1 eV from the Fermi level, suggesting that U 5f states are substantially hybridized in these bands. The relationship between the ARPES spectra of URu2Si2 and ThRu2Si2 is very different from the one between the ARPES spectra of CeRu2Si2 and LaRu2Si2, where the intrinsic difference in their spectra is limited only in the very vicinity of the Fermi energy. The present result suggests that the U 5f electrons in URu2Si2 have strong hybridization with ligand states and have an essentially itinerant character.

cond-mat.str-el↗

arXiv2015

Electronic structures of ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ studied by angle-resolved photoelectron spectroscopy

The electronic structures of the ferromagnetic superconductors $\mathrm{UGe}_2$ and $\mathrm{UCoGe}$ in the paramagnetic phase were studied by angle-resolved photoelectron spectroscopy using soft X-rays ($hν=400-500$). The quasi-particle bands with large contributions from $\mathrm{U}~5f$ states were observed in the vicinity of $E_\mathrm{F}$, suggesting that the $\mathrm{U}~5f$ electrons of these compounds have an itinerant character. Their overall band structures were explained by the band-structure calculations treating all the $\mathrm{U}~5f$ electrons as being itinerant. Meanwhile, the states in the vicinity of $E_\mathrm{F}$ show considerable deviations from the results of band-structure calculations, suggesting that the shapes of Fermi surface of these compounds are qualitatively different from the calculations, possibly caused by electron correlation effect in the complicated band structures of the low-symmetry crystals. Strong hybridization between $\mathrm{U}~5f$ and $\mathrm{Co}~3d$ states in $\mathrm{UCoGe}$ were found by the $\mathrm{Co}~2p-3d$ resonant photoemission experiment, suggesting that $\mathrm{Co}~3d$ states have finite contributions to the magnetic, transport, and superconducting properties.

cond-mat.str-el↗

arXiv2015

Polarized neutron diffraction and X-ray magnetic circular dichroism study of Ru doped UCoGe

We report on microscopic study of the ferromagnetism enhancement in the Ru doped ferromagnetic superconductor (FM SC) UCoGe. For that purpose, two single crystals with composition UCo0.97Ru0.03Ge and UCo0.88Ru0.12Ge were prepared. Both single crystals were investigated by polarized neutron diffraction (PND) at low temperatures in magnetic fields and the latter one also by the soft X-ray magnetic circular dichroism (XMCD) method. UCo0.96Ru0.03Ge and UCo0.88Ru0.12Ge have been found ordering ferromagnetically below the Curie temperature TC = 6 K and 8.5 K, respectively, which are considerable higher than TC = 3 K of UCoGe. The increase of TC is accompanied by enhancement of the spontaneous moment to ms = 0.11 mB/f.u. and ms = 0.21 mB/f.u., respectively. The analysis of the PND results assigns the ferromagnetism enhancement mainly to the growth of the orbital part of uranium 5 f moment. In contrast to the published results of PND study of the parent UCoGe, we have found parallel orientation of the U and Co moments in both doped compounds. Evolution of magnetic characteristics with Ru concentration is discussed within a scenario considering the varying 5 f-ligand hybridization as the key mechanism.

cond-mat.str-el↗

arXiv2015

Gradual localization of 5f states in orthorhombic UTX ferromagnets - polarized neutron diffraction study of Ru substituted UCoGe

We report on a microscopic study of the evolution of ferromagnetism in the Ru substituted ferromagnetic superconductor (FM SC) UCoGe crystallizing in the orthorhombic TiNiSi-type structure. For that purpose, two single crystals with composition UCo0.97Ru0.03Ge and UCo0.88Ru0.12Ge have been prepared and characterized by magnetization, AC susceptibility, specific heat and electrical resistivity measurements. Both compounds have been found to order ferromagnetically below TC = 6.5 K and 7.5 K, respectively, which is considerably higher than the TC = 3 K of the parent compound UCoGe. The higher values of TC are accompanied by enhanced values of the spontaneous moment mspont. = 0.11 mB/f.u. and mspont. = 0.21 mB/f.u., respectively in comparison to the tiny spontaneous moment of UCoGe (about 0.07mB/f.u.). No sign of superconductivity was detected in either compound. The magnetic moments of the samples were investigated on the microscopic scale using polarized neutron diffraction (PND) and for UCo0.88Ru0.12Ge also by soft X-ray magnetic circular dichroism (XMCD). The analysis of the PND results indicates that the observed enhancement of ferromagnetism is mainly due to the growth of the orbital part of the uranium 5f moment mL(U), reflecting a gradual localization of the 5f electrons with Ru substitution. In addition, the parallel orientation of the U and Co moments has been established in both substituted compounds. The results are discussed and compared with related isostructural ferromagnetic UTX compounds (T - transition metals, X - Si, Ge) in the context of a varying degree of the 5f-ligand hybridization.

cond-mat.str-el↗

arXiv2014

Thickness-dependent ferromagnetic metal to paramagnetic insulator transition in La$_{0.6}$Sr$_{0.4}$MnO$_3$ thin films studied by x-ray magnetic circular dichroism

Metallic transition-metal oxides undergo a metal-to-insulator transition (MIT) as the film thickness decreases across a ritical thickness of several monolayers (MLs), but its driving mechanism remains controversial. We have studied the thickness-dependent MIT of the ferromagnetic metal La$_{0.6}$Sr$_{0.4}$MnO$_3$ by x-ray absorption spectroscopy and x-ray magnetic circular dichroism. As the film thickness was decreased across the critical thickness of the MIT (6-8 ML), a gradual decrease of the ferromagnetic signals and a concomitant increase of paramagnetic signals were observed, while the Mn valence abruptly decreased towards Mn$^{3+}$. These observations suggest that the ferromagnetic phase gradually and most likely inhomogeneously turns into the paramagnetic phase and both phases abruptly become insulating at the critical thickness.

cond-mat.str-el↗

arXiv2014

Itinerant magnetism in URhGe revealed by angle resolved photoelectron spectroscopy

The electronic structure of the ferromagnetic superconductor URhGe in the paramagnetic phase has been studied by angle-resolved photoelectron spectroscopy using soft x rays (hn=595-700 eV). Dispersive bands with large contributions from U 5f states were observed in the ARPES spectra, and form Fermi surfaces. The band structure in the paramagnetic phase is partly explained by the band-structure calculation treating all U 5f electrons as being itinerant, suggesting that an itinerant description of U 5f states is a good starting point for this compound. On the other hand, there are qualitative disagreements especially in the band structure near the Fermi level (E_B < 0.5 eV). The experimentally observed bands are less dispersive than the calculation, and the shape of the Fermi surface is different from the calculation. The changes in spectral functions due to the ferromagnetic transition were observed in bands near the Fermi level, suggesting that the ferromagnetism in this compound has an itinerant origin.

cond-mat.str-el↗

arXiv2012

Itinerant Nature of U 5f States in Uranium Mononitride UN Revealed by Angle Resolved Photoelectron Spectroscopy

The electronic structure of the antiferromagnet uranium nitride (UN) has been studied by angle resolved photoelectron spectroscopy using soft X-rays (hn=420-520 eV). Strongly dispersive bands with large contributions from the U 5f states were observed in ARPES spectra, and form Fermi surfaces. The band structure as well as the Fermi surfaces in the paramagnetic phase are well explained by the band-structure calculation treating all the U 5f electrons as being itinerant, suggesting that itinerant description of the U 5f states is appropriate for this compound. On the other hand, changes in the spectral function due to the antiferromagnetic transition were very small. The shapes of the Fermi surfaces in a paramagnetic phase are highly three-dimensional, and the nesting of Fermi surfaces is unlikely as the origin of the magnetic ordering.

cond-mat.str-el↗

arXiv2011

Electronic Structure of Heavy Fermion Uranium Compounds Studied by Core-Level Photoelectron Spectroscopy

High-energy-resolution core-level and valence-band photoelectron spectroscopic studies were performed for the heavy Fermion uranium compounds UGe2, UCoGe, URhGe, URu2Si2, UNi2Al3, UPd2Al3, and UPt3 as well as typical localized and itinerant uranium compounds to understand the relationship between the uranium valence state and their core-level spectral line shapes. In addition to the main line and high-binding energy satellite structure recognized in the core-level spectra of uranium compounds, a shoulder structure on the lower binding energy side of the main lines of localized and nearly localized uranium compounds was also found. The spectral line shapes show a systematic variation depending on the U 5f electronic structure. The core-level spectra of UGe2, UCoGe, URhGe, URu2Si2, and UNi2Al3 are rather similar to those of itinerant compounds, suggesting that U 5f electrons in these compounds are well hybridized with ligand states. On the other hand, the core-level spectra of UPd2Al3 and UPt3 show considerably different spectral line shapes from those of the itinerant compounds, suggesting that U 5f electrons in UPd2Al3 and UPt3 are less hybridized with ligand states, leading to the correlated nature of U 5f electrons in these compounds. The dominant final state characters in their core-level spectra suggest that the numbers of 5f electrons in UGe2, UCoGe, URhGe, URu2Si2, UNi2Al3, and UPd2Al3 are close to but less than three, while that of UPt3 is close to two rather than to three.

cond-mat.str-el↗

arXiv2008

Soft X-ray Absorption and Photoemission Studies of Ferromagnetic Mn-Implanted 3$C$-SiC

We have performed x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS), and resonant photoemission spectroscopy (RPES) measurements of Mn-implanted 3$C$-SiC (3$C$-SiC:Mn) and carbon-incorporated Mn$_{5}$Si$_{2}$ (Mn$_{5}$Si$_{2}$:C). The Mn 2$p$ core-level XPS and XAS spectra of 3$C$-SiC:Mn and Mn$_{5}$Si$_{2}$:C were similar to each other and showed "intermediate" behaviors between the localized and itinerant Mn 3$d$ states. The intensity at the Fermi level was found to be suppressed in 3$C$-SiC:Mn compared with Mn$_{5}$Si$_{2}$:C. These observations are consistent with the formation of Mn$_{5}$Si$_{2}$:C clusters in the 3$C$-SiC host, as observed in a recent transmission electron microscopy study.

cond-mat.mtrl-sci↗

arXiv2007

Itinerant to localized transition of f electrons in antiferromagnetic superconductor UPd2Al3

Electrons in solids have been conventionally classified as either band-like itinerant ones or atomic-like localized ones depending on their properties. For heavy Fermion (HF) compounds, however, the f electrons show both itinerant and localized behaviours depending on temperature. Above the characteristic temperature T*, which is typically of the order of few K to few tens K, their magnetic properties are well described by the ionic f-electron models, suggesting that the f-electrons behave as 'localized' electrons. On the other hand, well below T*, their Fermi surfaces (FS's) have been observed by magneto-oscillatory techniques, and generally they can be explained well by the 'itinerant' f-electron model. These two models assume totally different natures of felectrons, and how they transform between localized and itinerant state as a function of temperatures has never been understood on the level of their electronic structures. Here we have studied the band structure of the HF antiferromagnetic superconductor UPd2Al3 well below and above T* by angle-resolved photoelectron spectroscopy (ARPES), and revealed the temperature dependence of the electronic structure. We have found that the f-bands, which form the FS's at low temperatures are excluded from FS's at high temperatures. The present results demonstrate how the same f-electrons show both itinerant and localized behaviours on the level of electronic structure, and provide an important information for the unified description of the localized and itinerant nature of HF compounds.

cond-mat.str-el↗

arXiv2006

Itinerant U 5f band states in the layered compound UFeGa5 observed by soft X-ray angle-resolved photoemission spectroscopy

We have performed angle-resolved photoemission spectroscopy (ARPES) experiments on paramagnetic UFeGa5 using soft X-ray synchrotron radiation (hn=500eV) and derived the bulk- and U 5f-sensitive electronic structure of UFeGa5. Although the agreement between the experimental band structure and the LDA calculation treating U 5f electrons as being itinerant is qualitative, the morphology of the Fermi surface is well explained by the calculation, suggesting that the U 5f states can be essentially understood within the itinerant-electron model.

cond-mat.str-el↗