arXiv subjects

Yoshihiro Kuroiwa

Publications and source records attributed to Yoshihiro Kuroiwa.

At least 19 recordsLinked to original sources

arXiv2024

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↗

arXiv2022

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↗

arXiv2021

Observing and modeling the sequential pairwise reactions that drive solid-state ceramic synthesis

Solid-state synthesis from powder precursors is the primary processing route to advanced multicomponent ceramic materials. Designing ceramic synthesis routes is usually a laborious, trial-and-error process, as heterogeneous mixtures of powder precursors often evolve through a complicated series of reaction intermediates. Here, we show that phase evolution from multiple precursors can be modeled as a sequence of pairwise interfacial reactions, with thermodynamic driving forces that can be efficiently calculated using ab initio methods. Using the synthesis of the classic high-temperature superconductor YBa$_2$Cu$_3$O$_{6+x}$ (YBCO) as a representative system, we rationalize how replacing the common BaCO$_3$ precursor with BaO$_2$ redirects phase evolution through a kinetically-facile pathway. Our model is validated from in situ X-ray diffraction and in situ microscopy observations, which show rapid YBCO formation from BaO$_2$ in only 30 minutes. By combining thermodynamic modeling with in situ characterization, we introduce a new computable framework to interpret and ultimately design synthesis pathways to complex ceramic materials.

cond-mat.mtrl-sci↗

arXiv2020

Structural phase diagram of LaO1-xFxBiSSe: suppression of the structural phase transition by partial F substitutions

We have investigated low-temperature crystal structure of BiCh2-based compounds LaO1-xFxBiSSe (x = 0, 0.01, 0.02, 0.03, and 0.5), in which anomalous two-fold-symmetric in-plane anisotropy of superconducting states has been observed for x = 0.5. From synchrotron X-ray diffraction experiments, a structural transition from tetragonal to monoclinic was observed for x = 0 and 0.01 at 340 and 240 K, respectively. For x = 0.03, a structural transition and broadening of the diffraction peak were not observed down to 100 K. These facts suggest that the structural transition could be suppressed by 3% F substitution in LaO1-xFxBiSSe. Furthermore, the crystal structure for x = 0.5 at 4 K was examined by low-temperature (laboratory) X-ray diffraction, which confirmed that the tetragonal structure is maintained at 4 K for x = 0.5. Our results suggest that the two-fold-symmetric in-plane anisotropy of superconducting states observed for LaO0.5F0.5BiSSe was not originated from structural symmetry lowering.

cond-mat.supr-con↗

arXiv2020

Two-fold symmetry of in-plane magnetoresistance anisotropy in the superconducting states of BiCh2-based LaO0.9F0.1BiSSe single crystal

Recently, two-fold symmetric in-plane anisotropy of the superconducting properties have been observed in a single crystal of BiCh2-based (Ch: S, Se) layered superconductor LaO0.5F0.5BiSSe having a tetragonal (four-fold-symmetric) in-plane structure; the phenomena are very similar to those observed in nematic superconductors. To explore the origin of the two-fold symmetric anisotropy in the BiCh2-based system, we have investigated the electron-doping dependence on the anisotropy by examining the in-plane anisotropy of the magnetoresistance in the superconducting states for a single crystal of LaO0.9F0.1BiSSe under high magnetic fields up to 15 T. We observed a two-fold symmetry of in-plane anisotropy of magnetoresistance for LaO0.9F0.1BiSSe. The results obtained for LaO0.9F0.1BiSSe are quite similar to those observed for LaO0.5F0.5BiSSe, which has a higher electron doping concentration than LaO0.9F0.1BiSSe. Our present finding suggests that the emergence of the in-plane symmetry breaking in the superconducting state is robust to the carrier concentration in the series of LaO1-xFxBiSSe.

cond-mat.supr-con↗

arXiv2020

Evolution of two bulk-superconducting phases in Sr0.5RE0.5FBiS2 (RE: La, Ce, Pr, Nd, Sm) by external hydrostatic pressure effect

Polycrystalline samples of Sr1-xRExFBiS2 (RE: La, Ce, Pr, Nd, and Sm) were synthesized via the solid-state reaction and characterized using synchrotron X-ray diffraction. Although all the Sr0.5RE0.5FBiS2 samples exhibited superconductivity at transition temperatures (Tc) within the range of 2.1-2.7 K under ambient pressure, the estimated superconducting volume fraction was small. This indicated the non-bulk nature of superconductivity in these samples under ambient pressure. A dramatic evolution of the bulk superconducting phases was achieved on applying an external hydrostatic pressure. Near pressures below 1 GPa, bulk superconductivity was induced with a Tc of 2.5-2.8 K, which is termed as the low-P phase. Moreover, the high-P phase (Tc = 10.0-10.8 K) featuring bulk characteristics was observed at higher pressures. Pressure-Tc phase diagrams indicated that the critical pressure for the emergence of the high-P phase tends to increase with decreasing ionic radius of the doped RE ions. According to the high-pressure X-ray diffraction measurements of Sr0.5La0.5FBiS2, a structural phase transition from tetragonal to monoclinic also occurred at approximately 1.1 GPa. Thus, this phase transition indicates a pressure-induced superconducting-superconducting transition similar to the transition in LaO0.5F0.5BiS2. Bulk superconducting phases in Sr0.5RE0.5FBiS2 induced by the external hydrostatic pressure effect are expected to be useful for evaluating the mechanisms of superconductivity in BiCh2-based superconductors.

cond-mat.supr-con↗

arXiv2020

Crystal Structure and Thermoelectric Transport Properties of As-Doped Layered Pnictogen Oxyselenides NdO0.8F0.2Sb1-xAsxSe2

We report the synthesis and thermoelectric transport properties of As-doped layered pnictogen oxyselenides NdO0.8F0.2Sb1-xAsxSe2 (x < 0.7), which are predicted to show high-performance thermoelectric properties based on first-principles calculation. The crystal structure of these compounds belongs to the tetragonal P4/nmm space group (No. 129) at room temperature. The lattice parameter c decreases with increasing x, while a remains almost unchanged among the samples. Despite isovalent substitution of As for Sb, electrical resistivity significantly rises with increasing x. Very low thermal conductivity of less than 0.8 W/mK is observed at temperatures between 300 and 673 K for all the examined samples. For As-doped samples, the thermal conductivity further decreases above 600 K. Temperature-dependent synchrotron X-ray diffraction indicates that an anomaly also occurs in the c-axis length at around 600 K, which may relate to the thermal transport properties.

cond-mat.mtrl-sci↗

arXiv2020

Bulk superconductivity induced by Se substitution in self-doped BiCh2-based compound CeOBiS2-xSex

We report the Se substitution effects on the crystal structure, superconducting properties, and valence states of self-doped BiCh2-based compound CeOBiS2-xSex. Polycrystalline CeOBiS2-xSex samples with x = 0-1.0 were synthesized. For x = 0.4 and 0.6, bulk superconducting transitions with a large shielding volume fraction were observed in magnetic susceptibility measurements; the highest transition temperature (Tc) was 3.0 K for x = 0.6. A superconductivity phase diagram of CeOBiS2-xSex was established based on Tc estimated from the electrical resistivity and magnetization measurements. The emergence of superconductivity in CeOBiS2-xSex was explained with two essential parameters of in-plane chemical pressure and carrier concentration, which systematically changed with increasing Se concentration.

cond-mat.supr-con↗

arXiv2019

Pressure-induced superconductivity in layered pnictogen diselenide NdO$_{0.8}$F$_{0.2}$Sb$_{1-x}$Bi$_x$Se$_2$ (x = 0.3 and 0.7)

Polycrystalline samples of layered pnictogen diselenide NdO0.8F0.2Sb1-xBixSe2 (x = 0 to 0.8) were successfully synthesized by solid-state reactions. Electrical resistivity in the synthesized samples was systematically decreased with an increase in Bi content x. Crystal structure analysis using synchrotron X-ray diffraction suggests that insulator to metal transition upon Bi doping correlates with anomalous change in c-axis length and/or corrugation in conducting layer. The emergence of superconductivity under high pressure is demonstrated using diamond anvil cell (DAC) with boron-doped diamond electrodes, for x = 0.3 and 0.7 as the representative samples. For Sb-rich one (x = 0.3), we observed a superconducting transition with Tconset = 5.3 K at 50 GPa, which is the first-ever report of the superconductivity in layered SbCh2-based (Ch: chalcogen) compounds. The Tconset of x = 0.3 increased with increasing pressure and reached 7.9 K at 70.8 GPa, followed by the gradual decrease in Tc up to 90 GPa. For Bi-rich one (x = 0.7), a superconducting transition with Tconset = 5.9 K was observed at 43.5 GPa, which is the almost comparable to that of x = 0.3; besides, upper critical field (Hc2) is evaluated to be ~10 T for x = 0.7, which is higher than that of x = 0.3 (Hc2 = 6.7 T at 50 GPa).

cond-mat.supr-con↗

arXiv2019

Improvement of superconducting properties by chemical pressure effect in Eu-doped La2-xEuxO2Bi3Ag0.6Sn0.4S6

We have investigated the substitution effect of Eu on the superconductivity in La2-xEuxO2Bi3Ag0.6Sn0.4S6. Recently, we reported an observation of superconductivity at 0.5 K in a layered oxychalcogenide La2O2Bi3AgS6. The Sn doping at the Ag site was found to raise the superconducting transition temperature, Tc to 2.5 K in La2O2Bi3Ag0.6Sn0.4S6. To further improve the superconducting properties, we have partially substituted Eu for the La site to increase the chemical pressure in La2-xEuxO2Bi3Ag0.6Sn0.4S6 (x = 0.1 to 0.6). With the increase in Eu concentration, x, the lattice constant a was found to shrink, while the lattice constant c was marginally shortened, which suggests that the chemical pressure induced by the Eu doping is uniaxial along the a-axis. Tc was observed to increase with increasing x up to x = 0.4, further decreasing for higher Eu concentrations of x = 0.5 and 0.6. From the magnetic susceptibility and resistivity measurements, the bulk nature of superconductivity has been observed for x = 0.1 to 0.5 with Tc = 2.5 to 4.0 K, respectively. The upper critical field (Bc2) was noted to be 3.5 T for x = 0.4, which also has the highest Tc.

cond-mat.supr-con↗

arXiv2019

Enhanced superconductivity by Na doping in SnAs-based layered compound Na$_{1+x}$Sn$_{2-x}$As$_2$

Superconducting transition temperature (Tc) reported in SnAs-based layered compound NaSn$_2$As$_2$ varies from 1.2 to 1.6 K, implying that its superconductivity is critically sensitive to non-stoichiometry. Here, we demonstrate that Na-doping on the Sn site (Na$_{1+x}$Sn$_{2-x}$As$_2$) is effective in enhancing superconductivity, leading to Tc = 2.1 K for x = 0.4. First-principles calculation indicates that such a doping, or Na$_{\rm Sn}$ antisite defects, is energetically favored over other cation vacancies. Our results pave the way for increasing Tc of layered tin pnictide superconductors.

cond-mat.supr-con↗

arXiv2019

Improvement of superconducting properties by high mixing entropy at blocking layers in BiS2-based superconductor REO0.5F0.5BiS2

To investigate the interlayer interaction in the recently synthesized high-entropy-alloy-type (HEA-type) REO0.5F0.5BiS2 superconductors (RE: rare earth), we have systematically synthesized samples with close lattice parameters and different mixing entropy (DSmix) for the RE site. The crystal structure was investigated using synchrotron X-ray diffraction and Rietveld refinement. For the examined samples with different DSmix, the increase in DSmix does not largely affect the bond lengths and the bond angle of the BiS2 conducting layer but clearly suppresses the in-plane disorder at the in-plane S1 site, which is the parameter essential for the emergence of bulk superconductivity in the REO0.5F0.5BiS2 system. Bulk nature of superconductivity is enhanced by the increase in DSmix for the present samples. The results of this work clearly show that the increase in mixing entropy at the blocking layer can positively affect the emergence of bulk superconductivity in the conducting layer, which is the evidence of the interaction between the high entropy states of the blocking layers and the physical properties of the conducting layers.

cond-mat.supr-con↗

arXiv2019

Effect of Bi Substitution on Thermoelectric Properties of SbSe2-based Layered Compounds NdO$_{0.8}$F$_{0.2}$Sb$_{1-x}$Bi$_x$Se$_2$

Although SbSe2-based layered compounds have been predicted to be high-performance thermoelectric materials and topological materials, most of these compounds obtained experimentally have been insulators so far. Here, we present the effect of Bi substitution on the thermoelectric properties of SbSe2-based layered compounds NdO0.8F0.2Sb1-xBixSe2 (x = 0-0.4). The room temperature electrical resistivity is decreased to 8.0 * 10^-5 ohmm for x = 0.4. The electrical power factor is calculated to be 1.4 * 10^-4 W/mK^2 at 660 K, which is in reasonable agreement with combined Jonker and Ioffe analysis. The room-temperature lattice thermal conductivity of less than 1 W/mK is almost independent of x, in contrast to the point-defect scattering model for conventional alloys. The present work provides an avenue for exploring SbSe2-based insulating and BiSe2-based conducting systems.

cond-mat.mtrl-sci↗

arXiv2018

Na1-xSn2P2 as a new member of van der Waals-type layered tin pnictide superconductors

Superconductors with a van der Waals (vdW) structure have attracted a considerable interest because of the possibility for truly two-dimensional (2D) superconducting systems. We recently reported NaSn2As2 as a novel vdW-type superconductor with transition temperature (Tc) of 1.3 K. Herein, we present the crystal structure and superconductivity of new material Na1-xSn2P2 with Tc = 2.0 K. Its crystal structure consists of two layers of a buckled honeycomb network of SnP, bound by the vdW forces and separated by Na ions, as similar to that of NaSn2As2. Amount of Na deficiency (x) was estimated to be 0.074(18) using synchrotron X-ray diffraction. Bulk nature of superconductivity was confirmed by the measurements of electrical resistivity, magnetic susceptibility, and specific heat. First-principles calculation using density functional theory shows that Na1-xSn2P2 and NaSn2As2 have comparable electronic structure, suggesting higher Tc of Na1-xSn2P2 is resulted from increased density of states at the Fermi level due to Na deficiency. Because there are various structural analogues with tin-pnictide (SnPn) conducting layers, our results indicate that SnPn-based layered compounds can be categorized into a novel family of vdW-type superconductors, providing a new platform for studies on physics and chemistry of low-dimensional superconductors.

cond-mat.supr-con↗

arXiv2018

Synthesis, Crystal Structure, and Thermoelectric Properties of Layered Antimony Selenides REOSbSe2 (RE = La, Ce)

Inspired by the recent first-principles calculations showing the high thermoelectric performance of layered pnictogen chalcogenides, we experimentally characterise the crystal structure and high-temperature transport properties of the layered antimony selenides REOSbSe2 (RE = La, Ce). The crystal structure of REOSbSe2 was the tetragonal P4/nmm space group, consisting of alternate stacks of SbSe2 and REO layers. These two compounds were n-type semiconductors. The optical band gaps of LaOSbSe2 and CeOSbSe2 were evaluated to be 1.0 and 0.6 eV, respectively. The room-temperature thermal conductivity was 1.5 Wm-1K-1 for RE = La and 0.8 Wm-1K-1 for RE = Ce. These relatively low thermal conductivities were comparable to those of isostructural layered bismuth chalcogenides. We substituted O2- with F- ions to introduce electrons as charged carriers to optimize the thermoelectric performance, but increasing the electrical conductivity was still challenging.

cond-mat.mtrl-sci↗

arXiv2017

Synthesis, Crystal Structure, and Physical Properties of New Layered Oxychalcogenide La2O2Bi3AgS6

We have synthesized a new layered oxychalcogenide La2O2Bi3AgS6. From synchrotron X-ray diffraction and Rietveld refinement, the crystal structure of La2O2Bi3AgS6 was refined using a model of the P4/nmm space group with a = 4.0644(1) Å and c = 19.412(1) Å, which is similar to the related compound LaOBiPbS3, while the interlayer bonds (M2-S1 bonds) are apparently shorter in La2O2Bi3AgS6. The tunneling electron microscopy (TEM) image confirmed the lattice constant derived from Rietveld refinement (c ~ 20 Å). The electrical resistivity and Seebeck coefficient suggested that the electronic states of La2O2Bi3AgS6 are more metallic than those of LaOBiS2 and LaOBiPbS3. The insertion of a rock-salt-type chalcogenide into the van der Waals gap of BiS2-based layered compounds, such as LaOBiS2, will be a useful strategy for designing new layered functional materials in the layered chalcogenide family.

cond-mat.mtrl-sci↗

arXiv2017

Evolution of Anisotropic Displacement Parameters and Superconductivity with Chemical Pressure in BiS2-Based REO0.5F0.5BiS2 (RE = La, Ce, Pr, and Nd)

In order to understand the mechanisms behind the emergence of superconductivity by the chemical pressure effect in REO0.5F0.5BiS2 (RE = La, Ce, Pr, and Nd), where bulk superconductivity is induced by the substitutions with a smaller-radius RE, we performed synchrotron powder X-ray diffraction, and analyzed the crystal structure and anisotropic displacement parameters. With the decrease of the RE3+ ionic radius, the in-plane disorder of the S1 sites significantly decreased, very similar to the trend observed in the Se-substituted systems: LaO0.5F0.5BiS2-xSex and Eu0.5La0.5FBiS2-xSex. Therefore, the emergence of bulk superconductivity upon the suppression of the in-plane disorder at the chalcogen sites is a universal scenario for the BiCh2-based superconductors. In addition, we indicated that the amplitude of vibration along the c-axis of the in-plane chalcogen sites may be related to the Tc in the BiCh2-based superconductors.

cond-mat.supr-con↗

arXiv2017

Origin of high piezoelectricity at the morphotropic phase boundary (MPB) in (Pb0.94Sr0.06)(ZrxTi1-x)O3

In this work, we address the issue of peaking of piezoelectric response at a particular composition in the morphotropic phase boundary (MPB) region of (Pb0.940Sr0.06)(ZrxTi1-x)O3 (PSZT) piezoelectric ceramics. We present results of synchrotron x-ray powder diffraction, dielectric, piezoelectric and sound velocity studies to critically examine the applicability of various models for the peaking of physical properties. It is shown that the models based on the concepts of phase coexistence, polarization rotation due to monoclinic structure, tricritical point and temperature dependent softening of elastic modulus may enhance the piezoelectric response in the MPB region in general but cannot explain its peaking at a specific composition. Our results reveal that the high value of piezoelectric response for the MPB compositions in PSZT at x=0.530 is due to the softening of the elastic modulus as a function of composition. The softening of elastic modulus facilitates the generation of large piezoelectric strain and polarization on approaching the MPB composition of x=0.530. This new finding based on the softening of elastic modulus may pave the way forward for discovering/designing new lead-free environmentally friendly piezoelectric materials and revolutionize the field of piezoelectric ceramics.

cond-mat.mtrl-sci↗