arXiv subjects

Satoru Matsuishi

Publications and source records attributed to Satoru Matsuishi.

At least 19 recordsLinked to original sources

arXiv2020

Higher-Order Topological Crystalline Insulating Phase and Quantized Hinge Charge in Topological Electride Apatite

In higher-order topological insulators, bulk and surface electronic states are gapped, while there appear gapless hinge states protected by spatial symmetry. Here we show by ab initio calculations that the La apatite electride is a higher-order topological crystalline insulator. It is a one-dimensional electride, in which the one-dimensional interstitial hollows along the $c$ axis support anionic electrons, and the electronic states in these one-dimensional channels are well approximated by the one-dimensional Su-Schrieffer-Heeger model. When the crystal is cleaved into a hexagonal prism, the 120$^\circ$ hinges support gapless hinge states, with their filling quantized to be 2/3. This quantization of the filling comes from a topological origin. We find that the quantized value of the filling depends on the fundamental blocks that constitute the crystal. The apatite consists of the triangular blocks, which is crucial for giving nontrivial fractional charge at the hinge.

cond-mat.mtrl-sci↗

arXiv2019

Quantum dynamics of hydrogen in iron-based superconductor LaFeAsO0.9D0.1 measured with inelastic neutron spectroscopy

Inelastic neutron scattering was performed for an iron-based superconductor LaFeAsO0.9D0.1, where most of D (deuterium) replaces oxygen, while a tiny amount goes into interstitial sites. By first-principle calculation, we characterize the interstitial sites for D (and for H slightly mixed) with four equivalent potential minima. Below the superconducting transition temperature Tc = 26 K,new excitations emerge in the range 5-15 meV, while they are absent in the reference system LaFeAsO0.9F0.1. The strong excitations at 14.5 meV and 11.1 meV broaden rapidly around 15 K and 20 K, respectively, where each energy becomes comparable to twice of the superconducting gap. The strong excitations are ascribed to a quantum rattling, or a band motion of hydrogen, which arises only if the number of potential minima is larger than two.

cond-mat.supr-con↗

arXiv2019

Pressure-induced quantum critical point in a heavily hydrogen-doped iron-based superconductor LaFeAsO

An iron-based superconductor LaFeAsO$_{1-x}$H$_x$ (0 $\leq x \leq$ 0.6) undergoes two antiferromagnetic (AF) phases upon H doping. We investigated the second AF phase ($x$=0.6) using NMR techniques under pressure. At pressures up to 2 GPa, the ground state is a spin-density-wave state with a large gap; however, the gap closes at 4.0 GPa, suggesting a pressure-induced quantum critical point. Interestingly, the gapped excitation coexists with gapless magnetic fluctuations at pressures between 2 and 4 GPa. This coexistence is attributable to the lift up of the $d_{xy}$ orbital to the Fermi level, a Lifshitz transition under pressure.

cond-mat.supr-con↗

arXiv2019

Insulator-like behavior coexisting with metallic electronic structure in strained FeSe thin films grown by molecular beam epitaxy

This paper reports that ~10-nm-thick FeSe thin films exhibit insulator-like behavior in terms of the temperature dependence of their electrical resistivity even though bulk FeSe has a metallic electronic structure that has been confirmed by photoemission spectroscopy and first-principles calculations. This apparent contradiction is explained by potential barriers formed in the conduction band. Very thin FeSe epitaxial films with various [Fe]/[Se] were fabricated by molecular beam epitaxy and classified into two groups with respect to lattice strain and electrical properties. Lattice parameter a increased and lattice parameter c decreased with increasing [Fe]/[Se] up to 1.1 and then a levelled off and c began to decrease at higher [Fe]/[Se]. Consequently, the FeSe films had the most strained lattice when [Fe]/[Se] was 1.1, but these films had the best quality with respect to crystallinity and surface flatness. All the FeSe films with [Fe]/[Se] of 0.8-1.9 exhibited insulator-like behavior, but the temperature dependences of their electrical resistivities exhibited different activation energies Ea between the Se-rich and Fe-rich regions; i.e., Ea were small (a few meV) up to [Fe]/[Se]=1.1 but jumped up to ~25 meV at higher [Fe]/[Se]. The film with [Fe]/[Se]=1.1 had the smallest Ea of 1.1 meV and exhibited an insulator-superconducting transition at 35 K with zero resistance under gate bias. The large Ea of the Fe-rich films was attributed to the unusual lattice strain with tensile in-plane and relaxed out-of-plane strains. The large Ea of films with [Fe]/[Se]>1.1 resulted in low mobility with a high potential barrier of ~50 meV in the conduction band for percolation carrier conduction compared with that of the [Fe]/[Se]=1.1 film (~17 meV). Therefore, the Fe-rich films exhibited remarkable insulator-like behavior similar to a semiconductor despite their metallic electronic structure.

cond-mat.str-el↗

arXiv2018

Phase transition in CaFeAsH: bridging 1111 and 122 iron-based superconductors

Iron-based superconductors can be categorized as two types of parent compounds by considering the nature of their temperature-induced phase transitions; namely, first order transitions for 122- and 11-type compounds and second-order transitions for 1111-type compounds. This work examines the structural and magnetic transitions (ST and MT) of CaFeAsH by specific heat, X-ray diffraction, neutron diffraction, and electrical resistivity measurements. Heat capacity measurements revealed a second-order phase transition accompanies an apparent single peak at 96 K. However, a clear ST from the tetragonal to orthorhombic phase and a MT from the paramagnetic to antiferromagnetic phase were detected. The structural (Ts) and Néel temperatures (TN) were respectively determined to be 95(2) and 96 K by X-ray and neutron diffraction and resistivity measurements. This small temperature difference, Ts - TN, was attributed to strong magnetic coupling in the inter-layer direction owing to CaFeAsH having the shortest lattice constant c among parent 1111-type iron arsenides. Considering that a first-order transition takes place in 11- and 122-type compounds with a short inter-layer distance, we conclude that the nature of the ST and MT in CaFeAsH is intermediate in character, between the second-order transition for 1111-type compounds and the first-order transition for other 11- and 122-type compounds.

cond-mat.supr-con↗

arXiv2018

Electrides as a New Platform of Topological Materials

Recent discoveries of topological phases realized in electronic states in solids have revealed an important role of topology, which ubiquitously appears in various materials in nature. Many well-known materials have turned out to be topological materials, and this new viewpoint of topology has opened a new horizon in material science. In this paper we find that electrides are suitable for achieving various topological phases, including topological insulating and topological semimetal phases. In the electrides, in which electrons serve as anions, the bands occupied by the anionic electrons lie near the Fermi level, because the anionic electrons are weakly bound by the lattice. This property of the electrides is favorable for achieving band inversions needed for topological phases, and thus the electrides are prone to topological phases. From such a point of view, we find many topological electrides, Y$_2$C (nodal-line semimetal (NLS)), Sc$_2$C (insulator with $π$ Zak phase), Sr$_2$Bi (NLS), HfBr (quantum spin Hall system), and LaBr (quantum anomalous Hall insulator), by using ab initio calculation. The close relationship between the electrides and the topological materials is useful in material science in both fields.

cond-mat.mtrl-sci↗

arXiv2017

Quantum Phase transition under pressure in a heavily hydrogen-doped iron-based superconductor LaFeAsO

Hydrogen (H)-doped LaFeAsO is a prototypical iron-based superconductor. However, its phase diagram extends beyond the standard framework, where a superconducting (SC) phase follows an antiferromagnetic (AF) phase upon carrier doping; instead, the SC phase is sandwiched between two AF phases appearing in lightly and heavily H-doped regimes. We performed nuclear magnetic resonance (NMR) measurements under pressure, focusing on the second AF phase in the heavily H-doped regime. The second AF phase is strongly suppressed when a pressure of 3.0 GPa is applied, and apparently shifts to a highly H-doped regime, thereby a "bare" quantum critical point (QCP) emerges. A quantum critical regime emerges in a paramagnetic state near the QCP, however, the influence of the AF critical fluctuations to the SC phase is limited in the narrow doping regime near the QCP. The optimal SC condition ($T_c \sim$ 48 K) is unaffected by AF fluctuations.

cond-mat.supr-con↗

arXiv2017

High pressure growth and electron transport properties of superconducting SmFeAsO1-xHx single crystals

We report the single crystal growth and characterization of the highest Tc iron-based superconductor SmFeAsO1-xHx. Some sub-millimeter-sized crystals were grown using the mixture flux of Na3As + 3NaH + As at 3.0 GPa and 1473 K. The chemical composition analyses confirmed 10% substitution of hydrogen for the oxygen site (x = 0.10), however, the structural analyses suggested that the obtained crystal forms a multi-domain structure. By using the FIB technique we fabricated the single domain SmFeAsO0.9H0.10 crystal with the Tc of 42 K, and revealed the metallic conduction in in-plane (rhoab), while semiconducting in the out-of-plane (rhoc). From the in-plane Hall coefficient measurements, we confirmed that the dominant carrier of SmFeAsO0.9H0.10 crystal is an electron, and the hydride ion occupied at the site of the oxygen ion effectively supplies a carrier electron per iron following the equation: O2- = H- + e-.

cond-mat.supr-con↗

arXiv2017

A large moment antiferromagnetic order in overdoped high-Tc superconductor 154SmFeAsO1-xDx

In iron-based superconductors, high critical temperature (Tc) superconductivity over 50 K has only been accomplished in electron-doped hREFeAsO (hRE = heavy rare earth (RE) element). While hREFeAsO has the highest bulk Tc (58 K), progress in understanding its physical properties has been relatively slow due to difficulties in achieving high concentration electron-doping and carrying out neutron-experiments. Here, we present a systematic neutron powder diffraction (NPD) study of 154SmFeAsO1-xDx, and the discovery of a new long-range antiferromagnetic ordering with x >= 0.56 (AFM2) accompanying a structural transition from tetragonal to orthorhombic. Surprisingly, the Fe magnetic moment in AFM2 reaches a magnitude of 2.73 muB/Fe, which is the largest in all non-doped iron pnictides and chalcogenides. Theoretical calculations suggest that the AFM2 phase originates in kinetic frustration of the Fe-3dxy orbital, in which the nearest neighbor hopping parameter becomes zero. The unique phase diagram, i. e., highest-Tc superconducting phase is adjacent to the strongly correlated phase in electron-overdoped regime, yields important clues to the unconventional origins of superconductivity.

cond-mat.supr-con↗

arXiv2016

Heavy Electron doping-induced antiferromagnetic phase as the parent for iron-oxypnictide superconductor LaFeAsO1-xHx

We perform transport measurements and band structure calculations of electron-doped LaFeAsO1-xHx over a wide range of x from 0.01 to 0.66. The T^2 and sqrt(T) dependency of the resistivity are observed at x ~ 0.17 and 0.41, respectively. The sign change of RH without opening of the spin-density-wave gap for 0.45 < x < 0.58 and T < TN as well as the calculated non-nested Fermi surface at x = 0.5 indicate the more localized nature of the AF2 as compared to spin density wave phase at non-doped sample. Considering the results from band calculations and the finite size of Hund' s rule coupling, the change of the normal conducting state with x is reasonably explained by a strong depression of the coherent scale owing to the increased effective Coulomb repulsion in the narrow anti-bonding 3dxy band that approaches the half-filled regime. The following transition from the paramagnet to AF2 is understood as the quenching or ordering of the less-screened spins with a large entropy at low temperature. These results suggest that the normal conducting properties over a wide doping range for the LaFeAsO1-xHx are strongly influenced by the local spins in the incoherent region. Thus, we conclude that the parent phase in LaFeAsO1-xHx is not the spin-density wave but the AF2, which may be primarily responsible for the singular superconducting properties of the 1111 type compared with other iron pnictides.

cond-mat.supr-con↗

arXiv2015

Hydrogen-substituted superconductors SmFeAsO1-xHx misidentified as oxygen-deficient SmFeAsO1-x

We investigated the preferred electron dopants at the oxygen sites of 1111-type SmFeAsO by changing the atmospheres around the precursor with the composition of Sm:Fe:As:O = 1:1:1:1-x in high-pressure synthesis. Under H2O and H2 atmospheres, hydrogens derived from H2O or H2 molecules were introduced into the oxygen sites as a hydride ion, and SmFeAsO1-xHx was obtained. However, when the H2O and H2 sources were removed from the synthetic process, nearly stoichiometric SmFeAsO was obtained and the maximum amount of oxygen vacancies introduced remained x = 0.05(4). Density functional theory calculations indicated that substitution of hydrogen in the form of H- is more stable than the formation of an oxygen vacancy at the oxygen site of SmFeAsO. These results strongly imply that oxygen-deficient SmFeAsO1-x reported previously is SmFeAsO1-xHx with hydride ion incorporated unintentionally during high-pressure synthesis.

cond-mat.supr-con↗

arXiv2015

Narrow Bandgap in beta-BaZn2As2 and Its Chemical Origins

Beta-BaZn2As2 is known to be a p-type semiconductor with the layered crystal structure similar to that of LaZnAsO, leading to the expectation that beta-BaZn2As2 and LaZnAsO have similar bandgaps; however, the bandgap of beta-BaZn2As2 (previously-reported value ~0.2 eV) is one order of magnitude smaller than that of LaZnAsO (1.5 eV). In this paper, the reliable bandgap value of beta-BaZn2As2 is determined to be 0.23 eV from the intrinsic region of the tem-perature dependence of electrical conductivity. The origins of this narrow bandgap are discussed based on the chemi-cal bonding nature probed by 6 keV hard X-ray photoemission spectroscopy, hybrid density functional calculations, and the ligand theory. One origin is the direct As-As hybridization between adjacent [ZnAs] layers, which leads to a secondary splitting of As 4p levels and raises the valence band maximum. The other is that the non-bonding Ba 5dx2-y2 orbitals form unexpectedly deep conduction band minimum (CBM) in beta-BaZn2As2 although the CBM of LaZnAsO is formed mainly of Zn 4s. These two origins provide a quantitative explanation for the bandgap difference between beta-BaZn2As2 and LaZnAsO.

physics.chem-ph↗

arXiv2015

Superconductivity in Room Temperature Stable electride and high-pressure phases of alkali metals

S-band metals such as alkali and alkaline earth metals do not undergo a superconducting transition (SCT) at an ambient pressure, but their high-pressure phases do. In contrast, room temperature stable electride electride (C12A7:e-) in which anionic electrons in the crystallographic sub-nanometer-size cages have high s-character exhibits SCT at 0.2-0.4K at an ambient pressure. In this paper we report that crystal and electronic structure of C12A7:e- are close to those of the high pressure superconducting phase of alkali and alkaline earth metals and the SCT of both materials is induced when electron nature at Fermi energy (EF) switches from s- to sd-hybridized state.

cond-mat.supr-con↗

arXiv2015

Superconductivity at 52 K in hydrogen-substituted LaFeAsO1-xHx under high pressure

The 1111-type iron-based superconductor LnFeAsO1-xFx (Ln stands for lanthanide) is the first material with a Tc above 50 K, other than cuprate superconductors. Electron doping into LaFeAsO by H, rather than F, revealed a double-dome-shaped Tc-x diagram, with a first dome (SC1, 0.05 50 K observed in RE-1111 compounds (RE: Pr, Sm, and Gd) at ambient pressure is the merging of SC1 and SC2.

cond-mat.supr-con↗

arXiv2014

Model of the Electronic Structure of Electron-Doped Iron-Based Superconductors: Evidence for Enhanced Spin Fluctuations by Diagonal Electron Hopping

We present a theoretical understanding of the superconducting phase diagram of the electron-doped iron pnictides. We show that, besides the Fermi surface nesting, a peculiar motion of electrons, where the next nearest neighbor (diagonal) hoppings between iron sites dominate over the nearest neighbor ones, plays an important role in the enhancement of the spin fluctuation and thus superconductivity. In the highest $T_c$ materials, the crossover between the Fermi surface nesting and this "prioritized diagonal motion" regime occurs smoothly with doping, while in relatively low $T_c$ materials, the two regimes are separated and therefore results in a double dome $T_c$ phase diagram.

cond-mat.supr-con↗

arXiv2014

Hydrogen Ordering and New Polymorph of Layered Perovskite Oxyhydrides: Sr2VO4-xHx

Compositionally tunable vanadium oxyhydrides Sr2VO4-xHx (x = 0 - 1) without considerable anion vacancy were synthesized by high-pressure solid state reaction. The crystal structures and their properties were characterized by powder neutron diffraction, synchrotron X-ray diffraction, thermal desorption spectroscopy, and first-principles density functional theory (DFT) calculations. The hydrogen anions selectively replaced equatorial oxygen sites in the VO6 layers via statistical substitution of hydrogen in the low x region (x < 0.2). A new orthorhombic phase (Immm) with an almost entirely hydrogen-ordered structure formed from the K2NiF4-type tetragonal phase with x > 0.7. Based on the DFT calculations, the degree of oxygen/hydrogen anion ordering is strongly correlated with the bonding interaction between vanadium and the ligands.

cond-mat.mtrl-sci↗

arXiv2014

Bipartite magnetic parent phases in the iron-oxypnictide superconductor

High-temperature (high-$T_{\rm c}$) superconductivity appears as a consequence of the carrier-doping of an undoped parent compound exhibiting antiferromagnetic order; thereby, ground-state properties of the parent compound are closely relevant to the superconducting state. On the basis of the concept, a spin-fluctuation has been addressed as an origin of pairing of the superconducting electrons in cuprates. Whereas, there is growing interest in the pairing mechanism such as an unconventional spin-fluctuation or an advanced orbital-fluctuation due to the characteristic multi-orbital system in iron-pnictides. Here, we report the discovery of an antiferromagnetic order as well as a unique structural transition in electron-overdoped LaFeAsO$_{1-x}$H$_x$ ($x$ ~ 0.5), whereby another parent phase was uncovered, albeit heavily doped. The unprecedented two-dome superconducting phases observed in this material can be interpreted as a consequence of the carrier-doping starting from the original at $x\sim0$ and advanced at $x\sim0.5$ parent phases toward the intermediate region. The bipartite parent phases with distinct physical properties in the second magnetic phase provide us with an interesting example to illustrate the intimate interplay among the magnetic interaction, structural change and orbital degree of freedom in iron-pnictides.

cond-mat.str-el↗

arXiv2014

Superconductivity of Ca2InN with a layered structure embedding an anionic indium chain array

We report the emergence of superconductivity in Ca2InN consisting of a 2-dimensional (2D) array of zigzag indium chains embedded between Ca2N layers. A sudden drop of resistivity and a specific-heat (Cp) jump attributed to the superconducting transition were observed at 0.6 K. The Sommerfeld coefficient γ= 4.24 mJ/mol K2 and Debye temperature ΘD = 322 K were determined from the Cp of the normal conducting state and the superconducting volume fraction was estimated to be ~80% from the Cp jump, assuming a BCS-type weak coupling. Density functional theory calculations demonstrated that the electronic bands near the Fermi level (EF) are mainly derived from In 5p orbitals with π and σ bonding states and the Fermi surface is composed of cylindrical parts, corresponding to the quasi-2D electronic state of the In chain array. By integrating the projected density of states of In-p component up to EF, a valence electron population of ~1.6 electrons/In was calculated, indicating that the partially anionic state of In. The In 3d binding energies observed in Ca2InN by x-ray photoemission spectroscopy were negatively shifted from that in In metal. The superconductivity of Ca2InN is associated with the p-p bonding states of the anionic In layer.

cond-mat.supr-con↗