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Akira Miura

Publications and source records attributed to Akira Miura.

At least 19 recordsLinked to original sources

Bridging the Experimental Last Mile: Digitizing Laboratory Know-How for Safe AI-Assisted Support

While advances in materials informatics have accelerated the development of Self-Driving Laboratories (SDLs), human-led experiments remain standard in many educational and exploratory research laboratories. In specific lab settings, formal documentation alone is often insufficient for safe and reliable operation. We refer to the gap between formal documentation and reliable execution in such settings as the experimental last mile; this gap mainly involves site-specific operational know-how, including local rules, routine checks, procedural details, and safety-conscious actions that are can be verbalizable but are often under-documented in standard manuals. In this proof-of-concept study, we developed a human-in-the-loop AI assistant that combines first-person experimental video, multimodal AI, and retrieval-augmented generation (RAG). Using powder X-ray diffraction experiments and student-recorded video data as inputs, the system extracts site-specific laboratory knowledge from recorded procedures, including physical techniques and audible confirmation that conventional manuals could omit. It then provides grounded responses based on the resulting manual. To reduce the risk of unsupported outputs, the system employs a two-layer safety design: source restriction through RAG and strict system-prompt constraints. Instructor-based evaluation showed alignment with expected guidance for questions covered by the manual. For out-of-scope queries, the system appropriately refused to answer, indicating a reduced risk of hallucination. Expert evaluation further indicated that the generated advisory reports were useful and safe (utility: 3.25/4.00; safety: 4.00/4.00). These results suggest the feasibility of a framework for bridging the experimental last mile in which AI supports laboratory practice under explicit human supervision rather than replacing human judgment.

cs.HC

Time-Temperature-Transformation (TTT) Diagrams to rationalize the nucleation and quenchability of metastable $α$-Li$_3$PS$_4$

$α$-Li$_3$PS$_4$ is a promising solid-state electrolyte with the highest ionic conductivity among its polymorphs. However, its formation presents a thermodynamic paradox: the $α$-phase is the equilibrium phase at high temperature and transforms to the stable $γ$-Li$_3$PS$_4$ polymorph when cooled to room temperature; however, $α$-Li$_3$PS$_4$ can be synthesized and quenched in a metastable state via rapid heating at relatively low temperatures. The origin of this synthesizability and anomalous stability has remained elusive. Here, we resolve this paradox by establishing a comprehensive time-temperature-transformation (TTT) diagram, constructed from a computational temperature-size phase diagram and experimental high-time-resolution isothermal measurements. Our density functional theory calculations reveal that at the nanoscale, the $α$-phase is stabilized by its low surface energy, which drastically lowers the nucleation barrier across a wide temperature range. This size-dependent stabilization is directly visualized using in-situ synchrotron X-ray diffraction and electron microscopy, capturing the rapid nucleation of nano-sized $α$-phase and its subsequent slow transformation. This work presents a generalizable framework that integrates thermodynamic and kinetic factors for understanding nucleation and phase transformation mechanisms, providing a rational strategy for the targeted synthesis of functional metastable materials.

cond-mat.mtrl-sci

Uniaxial negative thermal expansion in a weak-itinerant-ferromagnetic phase of CoZr$_{2}$H$_{3.49}$

We discovered unique uniaxial negative thermal expansion (NTE) behavior for a weak-itinerant-ferromagnetic phase of CoZr$_{2}$H$_{3.49}$. CoZr$_{2}$ is known as a superconductor exhibiting uniaxial NTE along the $c$-axis, which is called anomalous thermal expansion (ATE). Additionally, CoZr$_{2}$ is also known as a well-absorbent of hydrogen, and hydrogen insertion raises weak-itinerant ferromagnetism instead of superconductivity. However, the influence of hydrogen insertion on ATE behavior in this system is still unclear. To investigate it, we performed powder synchrotron X-ray diffraction (SXRD) for CoZr$_{2}$H$_{3.49}$. Through Arrott plots analysis, we determined the Curie temperature ($T_{\mathrm{C}}$) to be 139 K, and the Rhodes-Wohlfarth ratio was estimated to be 3.49, which clearly exceeds 1, suggesting the itinerancy of emerging ferromagnetism. Temperature dependencies of lattice constants $a$ and $c$ were extracted from powder SXRD analyses, and we revealed that lattice constant $c$ exhibited NTE behavior below $T_{\mathrm{C}}$. The uniaxial NTE behavior along the $c$-axis can be understood by sharpening an antibonding Co3$dz^{2}$ partial density of states near the Fermi level, linked to the expansion of a one-dimensional Co-Co chain running parallel to the $c$-axis.

cond-mat.mtrl-sci

Indium Hydroxide Ceramic Targets: A Breakthrough in High-Mobility Thin-Film Transistor Technology

Thin-film transistors composed of a hydrogen-containing indium oxide active layer are promising candidates for backplane devices in next-generation flat panel displays, offering higher definition and faster operation. However, the hydrogen incorporation process during film deposition poses challenges for scalable and industrial development due to both safety and controllability issues. Here, we demonstrate that using indium hydroxide ceramic as the target material for film deposition overcomes the difficulties associated with hydrogen gas usage. We sintered commercially available indium hydroxide powder using a conventional ceramic process at 150-250°C in air and utilized it for the deposition of hydrogen-incorporated indium oxide films via pulsed laser deposition. The resulting indium oxide films, after thermal annealing, contained a sufficient concentration of hydrogen and exhibited very high electron mobility due to significantly grown grains. Furthermore, we confirmed that the fabricated thin-film transistors exhibited comparably high performance to those produced using the gas-phase hydrogen incorporation method. This approach offers a practical pathway for hydrogen-containing indium oxide-based thin-film transistors in next-generation flat panel displays.

cond-mat.mtrl-sci

Revisiting the physical properties of (LaS)1+d(NbS2) misfit-layered compounds

Electrical transport in polycrystalline and single-crystalline (LaS)1+d(NbS2) misfit-layered compounds was measured. Polycrystalline samples were synthesized using S raw materials of different purities (2N or 6N), and single-crystalline samples were grown using two types of transport agents (2NH4Cl+PbCl2 or NH4Cl) via the chemical vapor transport method. The temperature dependence on resistivity dropped at 1.3-2.0 K for some of the samples, which might be affected by the unknown impurity. (LaS)1+d(NbS2) misfit-layered compounds for the main phase of those obtained samples exhibited no superconductivity above 0.2 K by the resistivity measurement.

cond-mat.supr-con

Superconducting properties and electronic structure of CuAl2-type transition-metal zirconide Fe1-xNixZr2

CuAl2-type transition-metal (Tr) zirconides are superconductor family, and the Tr-site element substitution largely modifies its transition temperature (Tc). Here, we synthesized polycrystalline samples of Fe1-xNixZr2 by arc melting. From magnetic susceptibility measurements, bulk superconductivity was observed for 0.4 < x < 0.8, and the highest Tc of 2.8 K was observed for x = 0.6. Specific heat measurements were also performed, bulk superconductivity was observed for 0.4 < x < 0.8, and the highest Tc of 2.6 K was observed for x = 0.6. The obtained superconductivity phase diagram exhibits dome-shaped trend, which is similar to unconventional superconductors, where magnetic fluctuations are essential for superconductivity. In addition, from the c/a lattice constant ratio analysis, we show the possible relationship between the suppression of bulk superconductivity in the Ni-rich compositions and a collapsed tetragonal transition.

cond-mat.supr-con

Stabilization and high thermoelectric performance of high-entropy-type cubic AgBi(S, Se, Te)2

As thermoelectric generators can convert waste heat into electricity, they play an important role in energy harvesting. The metal chalcogenide AgBiSe2 is one of the high-performance thermoelectric materials with low lattice thermal conductivity (klat), but it exhibits temperature-dependent crystal structural transitions from hexagonal to rhombohedral, and finally a cubic phase as the temperature rises. The high figure-of-merit ZT is obtained only for the high-temperature cubic phase. In this study, we utilized the high-entropy-alloy (HEA) concept for AgBiSe2 to stabilize the cubic phase throughout the entire temperature range with enhanced thermoelectric performance. We synthesized high-entropy-type AgBiSe2-2xSxTex bulk polycrystals and realized the stabilization of the cubic phase from room temperature to 800 K for x > 0.6. The ultra-low klat at of 0.30 Wm^-1K^-1 and the high peak ZT 0.9 at around 750 K were realized for cubic AgBiSe2-2xSxTex without carrier tuning. In addition, the average ZT value of x = 0.6 and 0.7 for the temperature range of 360-750 K increased to 0.38 and 0.40, respectively, which are comparable to the highest previously reported values.

cond-mat.mtrl-sci

Observation of superconductivity and enhanced upper critical field of $η$-carbide-type oxide Zr${_\mathrm{4}}$Pd$_{\mathrm{2}}$O

We report the first observation of bulk superconductivity of a $η$-carbide-type oxide Zr$_{4}$Pd$_{2}$O. The crystal structure and the superconducting properties were studied through synchrotron X-ray diffraction, magnetization, electrical resistivity, and specific heat measurement. The superconducting transition was observed at $T_{\mathrm{c}}$ = 2.73 K. Our measurement revealed that the $η$-carbide-type oxide superconductor Zr$_{4}$Pd$_{2}$O shows an enhanced upper critical field ${μ_{\mathrm{0}}H_{\mathrm{c2}}\mathrm{(0)}}$ = 6.72 T, which violates the Pauli-Clogston limit ${μ_{\mathrm{0}}H_{\mathrm{P}}}$ = 5.29 T. On the other hand, we found that the enhanced upper critical field is absent in a Rh analogue Zr$_{4}$Rh$_{2}$O. The large ${μ_{\mathrm{0}}H_{\mathrm{c2}}\mathrm{(0)}}$ of Zr$_{4}$Pd$_{2}$O would be raised from strong spin-orbit coupling with Pd-4$d$ electrons. The discovery of new superconducting properties for Zr$_{4}$Pd$_{2}$O would shed light on the further development of $η$-carbide-type oxide superconductors.

cond-mat.supr-con

Absence of Tc-Pinning Phenomenon Under High Pressure in High-Entropy REO0.5F0.5BiS2 Layered Superconductor

Recently, robustness of superconductivity (transition temperature, Tc) under high pressures has been observed in high-entropy alloy (HEA), bcc-type Ti-Zr-Hf-Nb-Ta, and HEA-type compounds (Ag,In,Sn,Pb,Bi)Te with a NaCl-type structure. Since those materials have three-dimensional crystal structure, investigation on the pressure dependence of Tc of low-dimensional materials is needed to understand the phenomena. Here, we investigated the superconducting properties and the crystal structure of BiS2-based layered system REO0.5F0.5BiS2. Although the robustness of Tc was induced in MTe with increasing M-site configurational entropy, the increase in RE-site configurational entropy does not induce robustness of Tc under high pressures in REO0.5F0.5BiS2. The crystal structure of HEA-type REO0.5F0.5BiS2 was confirmed as monoclinic P21/m, which is the same space group as the zero-entropy counterpart LaO0.5F0.5BiS2. The results suggest that an increase in configurational entropy at blocking layers do not affect crystal structure and superconducting properties under high pressures in the BiS2-based layered system.

cond-mat.supr-con

Effects of equivalent composition on superconducting properties of high-entropy REOBiS$_2$ (RE = La, Ce, Pr, Nd, Sm, Gd) single crystals

Superconductors are influenced by high-entropy alloys (HEAs); these have been investigated in various functional materials. REOBiS$_2$ (RE = La, Ce, Pr, Nd, Sm, and Gd in different combinations) single crystals with HEAs at the RE-site were successfully grown using the flux method. The obtained crystals were plate-shaped (1 mm$^2$) with a well-developed c-plane. Ce was present in both trivalent (Ce$^{3+}$) and tetravalent (Ce$^{4+}$) electronic configurations; the concentration of Ce$^{4+}$ at the RE-site was approximately 10 at% in all single crystals. The single crystals showed superconducting transition temperature with zero resistivity within 1.2-4.2 K. The superconducting transition temperature, superconducting anisotropy, electronic specific heat coefficient, and Debye temperature of the crystals were not correlated with the mixed entropy at the RE-site. Except for the electronic specific heat coefficient, the variation of these parameters as a function of mixed entropy showed different trends for equivalent and non-equivalent RE element compositions. Thus, the configuration of RE elements influences the superconducting properties of REOBiS$_2$ single crystals, alluding to a method of modulating transition temperatures.

cond-mat.supr-con

Estimation of Grüneisen Parameter of Layered Superconductor LaO0.5F0.5BiS2-xSex (x = 0.2, 0.4, 0.6, 0.8, 1.0)

The superconducting properties and structural parameters, including the Grüneisen parameter (γG), of the BiCh2-based (Ch: S, Se) layered superconductor LaO0.5F0.5BiS2-xSex were investigated. The superconducting transition temperature (Tc) increased with increasing Se concentration (x), and bulk superconductivity was induced by Se substitution. γG exhibited a larger value when x greater than 0.4, where the superconducting properties were improved. These results suggest that the increase of lattice anharmonicity is preferable for superconductivity in LaO0.5F0.5BiS2-xSex. The discussion includes data for related superconductors REO0.5F0.5BiS2 (RE = Pr, Nd), where a positive correlation between γG and Tc is revealed for Se-poor samples. In addition, specific heat analyses suggest the presence of a low-energy optical phonon mode for LaO0.5F0.5BiS2-xSex.

cond-mat.supr-con

Uniaxial negative thermal expansion in an orthorhombic superconductor CoZr3

We investigated the temperature evolution of crystal structure of orthorhombic CoZr3, which is a superconductor with a transition temperature of 4.3 K, by synchrotron and laboratory (CuKα) X-ray diffraction. Uniaxial negative thermal expansion along the c-axis, which is similar to that observed in tetragonal CoZr2, has been observed at a wide temperature range of T = 90-800 K in CoZr3, while a-and b-axis exhibit positive thermal expansion.

cond-mat.mtrl-sci

Glassy atomic vibrations and blurry electronic structures created by local structural disorders in high-entropy metal telluride superconductors

The motivation of this work is our recent observation of the robustness of superconductivity in a High-entropy (HE) superconductor Ag0.2In0.2Sn0.2Pb0.2Bi0.2Te (CsCl-type) to external pressure. The superconducting transition temperature (Tc) of Ag0.2In0.2Sn0.2Pb0.2Bi0.2Te is almost constant with pressure, described as robustness of superconductivity to pressure, whereas the PbTe with zero configurational entropy of mixing exhibits a clear decrease in Tc with pressure. Here, we investigated the atomic displacement parameters (Uiso), the atomic-vibration characteristics, and the electronic states of metal tellurides (MTe) with various configurational entropy of mixing (DSmix) at the M site. The Uiso for the M site is clearly increased by M-site alloying with DSmix > 1.1R, which is the evidence of local disorder introduced by the increase in DSmix via the solution of three or more M elements. The revealed vibrational density of states (DOS) shows a remarkable broadening with DSmix > 1.1R, which indicates glassy characteristics of atomic vibration in HE MTe with a NaCl-type structure (low-pressure phase). On the electronic states of the CsCl-type (high-pressure) phases, where the robustness of Tc is observed, blurry electronic band structure appears with increasing DSmix, which indicates the evolution of blurry (glassy) electronic states in HE MTe with the CsCl-type structure. The estimated electronic DOS at Fermi energy cannot explain the changes in Tc for HE MTe when assuming conventional electron-phonon superconductivity, but the conventional explanation seems to work for PbTe. Therefore, the pairing mechanisms in MTe with DSmix > 1.1R are affected by glassy phonon and/or blurry electronic states in MTe, and the robustness of superconductivity would be originating from unique electron-phonon coupling.

cond-mat.supr-con

Characterization of the MASCOT landing area by Hayabusa2

Context. After landing on C-type asteroid Ryugu, MASCOT imaged brightly colored, submillimeter-sized inclusions in a small rock. Hayabusa2 successfully returned a sample of small particles from the surface of Ryugu, but none of these appear to harbor such inclusions. The samples are considered representative of Ryugu. Aims. To understand the apparent discrepancy between MASCOT observations and Ryugu samples, we assess whether the MASCOT landing site, and the rock by implication, is perhaps atypical for Ryugu. Methods. We analyzed observations of the MASCOT landing area acquired by three instruments on board Hayabusa2: a camera (ONC), a near-infrared spectrometer (NIRS3), and a thermal infrared imager (TIR). We compared the landing area properties thus retrieved with those of the average Ryugu surface. Results. We selected several areas and landforms in the landing area for analysis: a small crater, a collection of smooth rocks, and the landing site itself. The crater is relatively blue and the rocks are relatively red. The spectral and thermophysical properties of the landing site are very close to those of the average Ryugu surface. The spectral properties of the MASCOT rock are probably close to average, but its thermal inertia may be somewhat higher. Conclusions. The MASCOT rock can also be considered representative of Ryugu. Some of the submillimeter-sized particles in the returned samples stand out because of their atypical spectral properties. Such particles may be present as inclusions in the MASCOT rock.

astro-ph.EP

Investigation of superconductivity in Ce-doped (La,Pr)OBiS2 single crystals

Single crystals of Ce-doped (La,Pr)OBiS2 superconductors, multinary rare-earth elements substituted ROBiS2, were successfully grown. The grown crystals typically had a size of 1-2 mm and a plate-like shape with a well-developed c-plane. The c-axis lattice constants of the obtained (La,Ce,Pr)OBiS2 single crystals were approximately 13.6-13.7 A, and the superconducting transition temperature was 1.23-2.18 K. Valence fluctuations of Ce and Pr were detected through X-ray absorption spectroscopy analysis. In contrast to (Ce,Pr)OBiS2 and (La,Ce)OBiS2, the superconducting transition temperature of (La,Ce,Pr)OBiS2 increased with increasing concentrations of the tetravalent state at the R-site.

cond-mat.supr-con

Lattice Anharmonicity in BiS2-Based Layered Superconductor RE(O,F)BiS2 (RE = La, Ce, Pr, Nd)

We studied Grüneisen parameter (γG) to investigate lattice anharmonicity in a layered BiS2-based superconductor system REO1-xFxBiS2 (RE = La, Ce, Pr, Nd), where in-plane chemical pressure was tuned by substituting the RE elements. With increasing in-plane chemical pressure, bulk modulus remarkably increases, and a high γG is observed for RE = Nd. The dependence of γG on in-plane chemical pressure exhibits a good correlation with Tc, and a higher Tc is achieved when γG is large for RE = Nd. In addition, γG shows a slight decrease by a decrease of F concentration (x) in REO1-xFxBiS2. Our results show that the anharmonic vibration of Bi along the c-axis is present in REO1-xFxBiS2, and the enhancement of the anharmonicity is positively linked to superconducting Tc and pairing mechanisms.

cond-mat.supr-con

Improvement of upper critical field by the compositionally-complex-alloy concept in A15 superconductor V3X (X: Al, Si, Ga, Ge, Sn)

Compositionally complex alloys (CCAs) are a new category of high-entropy materials containing more than two high-entropy phases in an alloy sample. We applied the concept of CCA to a A15-type compound superconductor V3X where X site is occupied by Al, Si, Ga, Ge, and Sn. The V3X sample shows bulk superconductivity with a transition temperature (Tc) of 6.4 K, which is close to the Tc of V3Ge. The upper critical field (Bc2(0)) of V3X estimated from magnetic susceptibility is 8.8 T, which is ~50% higher than that of V3Ge (Bc2(0) = 5.8 T). The presence of at least five different A15 phases with high configurational entropy of mixing were revealed. We consider that the examined V3X sample is an example system of CCA-type superconducting intermetallic compound.

cond-mat.supr-con

Fluorine solubility and superconducting properties of Sm(O,F)BiS$_2$ single crystals

Sm(O,F)BiS2 superconducting single crystals with various nominal F contents have been grown using KI-KCl flux. The solid solution limit of F at the O-site in Sm(O,F)BiS2 single crystals was approximately less than 20 at%. F concentrations of Sm(O,F)BiS2 single crystals were hardly controlled by nominal F contents. It suggests the existence of intrinsic stable phase. Superconductivity was shown at around 5 K. Superconducting transition temperature with zero resistivity were increased with increasing nominal F contents within less than 70 at% in O-site, despite similar F concentration and c-axis lattice constants.

cond-mat.supr-con