arXiv subjects

Hideo Hosono

Publications and source records attributed to Hideo Hosono.

At least 55 records · Page 3Linked to original sources

arXiv2019

Tunable light-emission through the range 1.8-3.2 eV and p-type conductivity at room temperature for nitride semiconductors, Ca(Mg1-xZnx)2N2 (x=0-1)

The ternary nitride CaZn2N2, composed only of earth-abundant elements, is a novel semiconductor with a band gap of 1.8 eV. First-principles calculations predict that continuous Mg substitution at the Zn site will change the optical band gap in a wide range from ~3.3 eV to ~1.9 eV for Ca(Mg1-xZnx)2N2 (x = 0-1). In this study, we demonstrate that a solid-state reaction at ambient pressure and a high-pressure synthesis at 5 GPa produce x = 0 and 0.12, and x = 0.12-1 polycrystalline samples, respectively. It is experimentally confirmed that the optical band gap can be continuously tuned from ~3.2 eV to ~1.8 eV, a range very close to that predicted by theory. Band-to-band photoluminescence is observed at room temperature in the ultravioletfired region depending on x. A 2% Na doping at the Ca site of CaZn2N2 converts its highly resistive state to a p-type conducting state. Particularly, the x = 0.50 sample exhibits intense green emission with a peak at 2.45 eV (506 nm) without any other emission from deep-level defects. These features meet the demands of the III-V group nitride and arsenide/phosphide light-emitting semiconductors.

cond-mat.mtrl-sci↗

arXiv2019

Particulate Generation on Surface of Iron Selenide Films by Air Exposure

Nanometer-sized particular structures are generated on the surfaces of FeSe epitaxial films directly after exposure to air; this phenomenon was studied in the current work because these structures are an obstacle to field-induced superconductivity in electric double-layer transistors using FeSe channel layers. Chemical analyses using field-effect scanning Auger electron spectroscopy revealed no clear difference in the chemical composition between the particular structures and the other flat surface region. This observation limits the possible origins of the particulate formation to light elements in air such as O, C, H, and N.

cond-mat.supr-con↗

arXiv2019

Ternary Inorganic Electrides with mixed bonding

A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identified three new thermodynamically stable materials (Li$_{12}$Mg$_3$Si$_4$, NaBa$_2$O and Ca$_5$Ga$_2$N$_4$) as potential electrides made by main group elements, in addition to the well known mayenite based electride (C12A7:$e^-$). Different from those conventional inorganic electrides in which the excess electrons play only the role of anions, the three new materials, resembling the electrides found in simple metals under high pressure, possess mixed ionic and metallic bonding. The interplay between two competing mechanisms, together with the different crystal packing motifs, gives rise to a variety of geometries in anionic electrons, and rich physical phenomena such as ferromagnetism, superconductivity and metal-insulator transition. Our finding here bridges the gap between electrides found at ambient and high pressure conditions.

cond-mat.mtrl-sci↗

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

Superconducting transition temperatures in the electronic and magnetic phase diagrams of Sr2VFeAsO3-delta, a superconductor

We elucidate the magnetic phases and superconducting transition temperatures (Tc) in Sr2VFeAsO3-delta (21113V), an iron-based superconductor with a thick-blocking layer fabricated from a perovskite-related transition metal oxide. At low temperatures (T < 37.1 K), 21113V exhibited a superconducting phase in the range 0.031 =< delta =< 0.145 and an antiferromagnetic (AFM) iron sublattice in the range 0.267 =< delta =< 0.664. Mixed-valent vanadium exhibited a dominant AFM phase in 0.031 =< delta =< 0.088, and a partial ferrimagnetic (Ferri.) phase in the range 0.124 =< delta =< 0.664. The Ferri. phase was the most dominant at a delta value of 0.267, showing an AFM phase of Fe at T < 20 K. Increasing the spontaneous magnetic moments reduced the magnetic shielding volume fraction due to the superconducting phase. This result was attributed to the magnetic phase of vanadium, which dominates the superconductivity of Fe in 21113V. The Tc-delta curve showed two maxima. The smaller and larger of Tc maxima occurred at delta = 0.073 and delta = 0.145, respectively; the latter resides on the phase boundary between AFM and the partial Ferri. phases of vanadium. 21113V is a useful platform for verifing new mechanisms of Tc enhancement in iron-based superconductors.

cond-mat.supr-con↗

arXiv2018

Efficient Construction Method for Phase Diagrams Using Uncertainty Sampling

We develop a method to efficiently construct phase diagrams using machine learning. Uncertainty sampling (US) in active learning is utilized to intensively sample around phase boundaries. Here, we demonstrate constructions of three known experimental phase diagrams by the US approach. Compared with random sampling, the US approach decreases the number of sampling points to about 20%. In particular, the reduction rate is pronounced in more complicated phase diagrams. Furthermore, we show that using the US approach, undetected new phase can be rapidly found, and smaller number of initial sampling points are sufficient. Thus, we conclude that the US approach is useful to construct complicated phase diagrams from scratch and will be an essential tool in materials science.

cond-mat.mtrl-sci↗

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

Recent advances in iron-based superconductors toward applications

Iron with a large magnetic moment was widely believed to be harmful to the emergence of superconductivity because of the competition between the static ordering of electron spins and the dynamic formation of electron pairs (Cooper pairs). Thus, the discovery of a high critical temperature (Tc) iron-based superconductor (IBSC) in 2008 was accepted with surprise in the condensed matter community and rekindled extensive study globally. IBSCs have since grown to become a new class of high-Tc superconductors next to the high-Tc cuprates discovered in 1986. The rapid research progress in the science and technology of IBSCs over the past decade has resulted in the accumulation of a vast amount of knowledge on IBSC materials, mechanisms, properties, and applications with the publication of more than several tens of thousands of papers. This article reviews recent progress in the technical applications (bulk magnets, thin films, and wires) of IBSCs in addition to their fundamental material characteristics. Highlights of their applications include high-field bulk magnets workable at 15-25 K, thin films with high critical current density (Jc) > 1 MA/cm2 at ~10 T and 4 K, and an average Jc of 1.3*104 A/cm2 at 10 T and 4 K achieved for a 100-m-class-length wire. These achievements are based on the intrinsically advantageous properties of IBSCs such as the higher crystallographic symmetry of the superconducting phase, higher critical magnetic field, and larger critical grain boundary angle to maintain high Jc. These properties also make IBSCs promising for applications using high magnetic fields.

cond-mat.supr-con↗

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

Superconductivity in alkaline earth metal-filled skutterudites BaxIr4X12 (X = As, P)

We report superconductive iridium pnictides BaxIr4X12 (X = As and P) with a filled skutterudite structure, demonstrating that Ba filling dramatically alters their electronic properties and induces a nonmetal-to-metal transition with increasing the Ba content x. The highest superconducting transition temperatures are 4.8 and 5.6 K observed for BaxIr4As12 and BaxIr4P12, respectively. The superconductivity in BaxIr4X12 can classified into the Bardeen-Cooper-Schrieffer type with intermediate coupling.

cond-mat.supr-con↗

arXiv2017

Probing a divergent van Hove singularity of graphene with a Ca$_2$N support: a layered electride as a solid-state dopant

Layered electrides, as typified by Ca$_2$N, are a new class of quasi-two-dimensional materials with low work functions. Using first-principles calculations, we have shown that a graphene layer deposited on Ca$_2$N is doped to $n=5\times 10^{14}$ cm$^{-2}$ with its Fermi level aligned with the logarithmically divergent van Hove singularity in the graphene $π^*$ band. For bilayer graphene on Ca$_2$N, the inner graphene layer is doped to the same level, while the doping of the outer graphene layer is much more modest. This finding opens an interesting possibility of using layered electrides for the exploration of van Hove physics. The work function changes nonmonotonically with the number of graphene layers, which we explain in terms of the peculiar electronic structures of the constituent materials and their bonding.

cond-mat.mtrl-sci↗

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↗

arXiv2017

Highly hydrogen-sensitive thermal desorption spectroscopy system for quantitative analysis of low hydrogen concentration (~1 x 10^16 atoms/cm3) in thin-film samples

We developed a highly hydrogen-sensitive thermal desorption spectroscopy (HHS-TDS) system to detect and quantitatively analyze low hydrogen concentrations in thin films. The system was connected to an in situ sample-transfer chamber system, manipulators, and an rf magnetron sputtering thin-film deposition chamber under an ultra-high-vacuum (UHV) atmosphere of ~10^-8 Pa. The following key requirements were proposed in developing the HHS-TDS: (i) a low hydrogen residual partial pressure, (ii) a low hydrogen exhaust velocity, and (iii) minimization of hydrogen thermal desorption except from the bulk region of the thin films. To satisfy these requirements, appropriate materials and components were selected, and the system was constructed to extract the maximum performance from each component. Consequently, ~2000 times higher sensitivity to hydrogen than that of a commercially available UHV-TDS system was achieved using H+-implanted Si samples. Quantitative analysis of an amorphous oxide semiconductor InGaZnO4 thin film (1 cm x 1 cm x 1um thickness, hydrogen concentration of 4.5 x 10^17 atoms/cm3) was demonstrated using the HHS-TDS system. This concentration level cannot be detected using UHV-TDS or secondary ion mass spectroscopy (SIMS) systems. The hydrogen detection limit of the HHS-TDS system was estimated to be ~1 x 10^16 atoms/cm3, which implies ~2 orders of magnitude higher sensitivity than that of SIMS and resonance nuclear reaction systems (~10^18 atoms/cm3).

cond-mat.mtrl-sci↗

arXiv2017

BaFe2(As1-xPx)2 (x = 0.22-0.42) thin films grown on practical metal-tape substrates and their critical current densities

We optimized the substrate temperature (Ts) and phosphorus concentration (x) of BaFe2(As1-xPx)2 films on practical metal-tape substrates for pulsed laser deposition from the viewpoints of crystallinity, superconductor critical temperature (Tc), and critical current density (Jc). It was found that the optimum Ts and x values are 1050 degree C and x = 0.28, respectively. The optimized film exhibits Tc_onset = 26.6 and Tc_zero = 22.4 K along with a high self-field Jc at 4 K (~1 MA/cm2) and relatively isotropic Jc under magnetic fields up to 9 T. Unexpectedly, we found that lower crystallinity samples, which were grown at a higher Ts of 1250 degree C than the optimized Ts = 1050 degree C, exhibit higher Jc along the ab plane under high magnetic fields than the optimized samples. The presence of horizontal defects that act as strong vortex pinning centers, such as stacking faults, are a possible origin of the high Jc values in the poor crystallinity samples.

cond-mat.supr-con↗

arXiv2017

Exploiting ITO colloidal nanocrystals for ultrafast pulse generation

Dynamical materials that capable of responding to optical stimuli have always been pursued for designing novel photonic devices and functionalities, of which the response speed and amplitude as well as integration adaptability and energy effectiveness are especially critical. Here we show ultrafast pulse generation by exploiting the ultrafast and sensitive nonlinear dynamical processes in tunably solution-processed colloidal epsilon-near-zero (ENZ) transparent conducting oxide (TCO) nanocrystals (NCs), of which the potential respond response speed is >2 THz and modulation depth is ~23% pumped at ~0.7 mJ/cm2, benefiting from the highly confined geometry in addition to the ENZ enhancement effect. These ENZ NCs may offer a scalable and printable material solution for dynamic photonic and optoelectronic devices.

cond-mat.mtrl-sci↗

arXiv2017

High-field transport properties of a P-doped BaFe2As2 film on technical substrate

High temperature (high-Tc) superconductors like cuprates have superior critical current properties in magnetic fields over other superconductors. However, superconducting wires for high-field-magnet applications are still dominated by low-Tc Nb3Sn due probably to cost and processing issues. The recent discovery of a second class of high-Tc materials, Fe-based superconductors, may provide another option for high-field-magnet wires. In particular, AEFe2As2 (AE: Alkali earth elements, AE-122) is one of the best candidates for high-field-magnet applications because of its high upper critical field, Hc2, moderate Hc2 anisotropy, and intermediate Tc. Here we report on in-field transport properties of P-doped BaFe2As2 (Ba-122) thin films grown on technical substrates (i.e., biaxially textured oxides templates on metal tapes) by pulsed laser deposition. The P-doped Ba-122 coated conductor sample exceeds a transport Jc of 10^5 A/cm^2 at 15 T for both major crystallographic directions of the applied magnetic field, which is favourable for practical applications. Our P-doped Ba-122 coated conductors show a superior in-field Jc over MgB2 and NbTi, and a comparable level to Nb3Sn above 20 T. By analysing the E-J curves for determining Jc, a non-Ohmic linear differential signature is observed at low field due to flux flow along the grain boundaries. However, grain boundaries work as flux pinning centres as demonstrated by the pinning force analysis.

cond-mat.supr-con↗