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T. Mizokawa

Publications and source records attributed to T. Mizokawa.

At least 19 recordsLinked to original sources

Orbital-Induced Peierls Transitions: How Orbitals Orchestrate Lattice Instability

The Peierls transition is typically regarded as a phenomenon inherent to one-dimensional (1D) materials. However, orbital degrees of freedom can induce this instability even in higher dimensions. Two mechanisms are primarily responsible. First, the anisotropic shape of $p$ and $d$ orbitals can lead to effective "1D-zation" of the electronic spectrum. Second, orbital degrees of freedom can lift band degeneracy by shifting bands relative to each other via the local or band Jahn-Teller effect, thereby affecting the nesting of the Fermi surface. The orbital-induced Peierls effect is most commonly observed when ligand octahedra surrounding transition metals share edges, and less frequently in face-sharing geometries. In this review, we discuss the underlying physical mechanisms, the materials in which this phenomenon occurs, the characteristics of the high-temperature undistorted phase, and the role of local effects such as the formation of molecular orbitals.

cond-mat.str-el

Electronic inhomogeneity in Cs- and Sb-terminated surfaces of CsV$_3$Sb$_5$ probed by scanning photoemission spectromicroscopy

Electronic structures of Cs- and Sb-terminated surfaces of a kagome superconductor CsV$_3$Sb$_5$ have been elucidated by means of scanning photoemission microscopy (SPEM). The observed band structure of the Cs-terminated surface is rather close to that of the bulk while that of the Sb-terminated one is substantially modified around K/H point of the Brillouin zone. While the contrast between the Cs- and Sb-terminated regions is reduced below the charge density wave transition temperature, the Sb 5$p$ band of Cs-terminated region exhibits electronic inhomogeneity which slightly increases below it. The inhomogeneity of the Sb 5$p$ band would be related to disorders of the out-of-plane Sb and relevant for the band folding along $Γ$-A with the charge density wave. The SPEM results suggest that the less inhomogeneous Cs termination is more suitable for interface of kagome superconductors. However, the inhomogeneity of Cs termination, which is significant at $Γ$/A, noticeable at K/H, and negligible at M/L, is expected to affect the Sb 5$p$-V 3$d$ hybridization at the interface.

cond-mat.supr-con

Circular Dichroism in Resonant Inelastic X-ray Scattering: Probing Altermagnetic Domains in MnTe

X-ray magnetic circular dichroism provides a means to identify ferromagnetic, chiral, and altermagnetic orders via their time-reversal-symmetry ($\mathcal{T}$) breaking. However, differentiating magnetic domains related by crystallographic symmetries remains a technical challenge. Here we reveal a circular dichroism (CD) in the resonant inelastic x-ray scattering (RIXS) spectra from the altermagnetic MnTe. The azimuthal dependence of the RIXS-CD intensity of the magnon excitations indicates a dominant occupation of a single altermagnetic domain. The RIXS-CD in our scattering geometry is ascribed to the mirror-symmetry breaking associated with the $\mathcal{T}$-broken altermagnetic order. Our results establish RIXS-CD as a domain-sensitive probe of elementary excitations in quantum materials.

cond-mat.str-el

Inhomogeneous reduction-annealing effects on the electron-doped cuprate superconductor revealed by micro-focused angle-resolved photoemission spectroscopy

The development of the protect-annealing method has extended the superconductivity of the electron-doped cuprate Pr$_{1.3-x}$La$_{0.7}$Ce$_{x}$CuO$_{4}$ (PLCCO) into lower Ce concentrations, while the superconducting volume fraction decreases with underdoping. Employing angle-resolved photoemission spectroscopy with a micro-focused beam, we investigated the electronic structure of protect-annealed PLCCO ($x=0.08$) with small superconducting volume fraction. Significant spatial variation of Fermi surface area and shape was observed, suggesting inhomogeneity in electron concentrations and the pseudogap that competes with superconductivity. By performing measurements at dozens of different sample positions, negative and non-monotonic correlation was found between the electron concentration and pseudogap magnitude. The established correlation illustrates a systematic annealing dependence of the electronic structure where a pseudogap abruptly opens with insufficient oxygen reduction.

cond-mat.supr-con

Linear dichroic x-ray absorption response of Ti-Ti dimers along the $c$ axis in Ti$_2$O$_3$ upon Mg substitution

Corundum oxide Ti$_2$O$_3$ shows the metal-insulator transition around 400-600 K accompanying the nearest Ti$^{3+}$-Ti$^{3+}$ bond ($a_{1g}a_{1g}$ singlet state) formation along the $c$ axis. In order to clarify the hole-doping effect for the $a_{1g}a_{1g}$ singlet bond in Ti$_2$O$_3$, we investigated Ti $3d$ orbital anisotropy between corundum-type Ti$_2$O$_3$ and ilmenite-type MgTiO$_3$ using linear dichroism of soft x-ray absorption spectroscopy of the Ti $L_{2,3}$ edge. From the linear dichroic spectral weight in Mg$_y$Ti$_{2-y}$O$_3$, we confirmed that the $a_{1g}a_{1g}$ state is dominant not only in $y=0.01$ (almost Ti$_2$O$_3$), but also in $y = 0.29$, indicating that the Ti-Ti bond survives against a certain level of hole doping. In $y=0.63$ corresponding to 46% hole doping per Ti, the $3d$ orbital symmetry changes from $a_{1g}$ to $e_g^π$.

cond-mat.str-el

Oxygen on-site Coulomb energy in Pr$_{1.3-x}$La$_{0.7}$Ce$_x$CuO$_{4}$ and Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ and its relation with Heisenberg exchange

We study the electronic structure of electron-doped Pr$_{1.3-x}$La$_{0.7}$Ce$_{x}$CuO$_{4}$ (PLCCO ; $T_{c}$ = 27 K, x = 0.1) and hole-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212 ; $T_{c}$ = 90 K) cuprate superconductors using x-ray absorption spectroscopy (XAS) and resonant photoemission spectroscopy (Res-PES). From Res-PES across the O K-edge and Cu L-edge, we identify the O 2p and Cu 3d partial density of states (PDOS) and their correlation satellites which originate in two-hole Auger final states. Using the Cini-Sawatzky method, analysis of the experimental O 2p PDOS shows an oxygen on-site Coulomb energy for PLCCO to be $U_{p}$ = 3.3$\pm$0.5 eV and for Bi2212, $U_{p}$ = 5.6$\pm$0.5 eV, while the copper on-site Coulomb correlation energy, $U_{d}$ = 6.5$\pm$0.5 eV for Bi2212. The expression for the Heisenberg exchange interaction $J$ in terms of the electronic parameters $U_{d}$, $U_{p}$, charge-transfer energy $Δ$ and Cu-O hopping $t_{pd}$ obtained from a simple Cu$_2$O cluster model is used to carry out an optimization analysis consistent with $J$ known from scattering experiments. The analysis also provides the effective one band on-site Coulomb correlation energy $\tilde{U}$ and the effective hopping $\tilde{t}$. PLCCO and Bi2212 are shown to exhibit very similar values of $\tilde{U}$/$\tilde{t}$ $\sim$9-10, confirming the strongly correlated nature of the singlet ground state in the effective one-band model for both the materials.

cond-mat.str-el

Pressure suppression of the excitonic insulator state in Ta2NiSe5 observed by optical conductivity

The layered chalcogenide Ta2NiSe5 has recently attracted much interest as a strong candidate for the long sought excitonic insulator (EI). Since the physical properties of an EI are expected to depend sensitively on the external pressure, it is important to clarify the pressure evolution of microscopic electronic state in Ta2NiSe5. Here we report the optical conductivity [s(w)] of Ta2NiSe5 measured at high pressures to 10 GPa and at low temperatures to 8 K. With cooling at ambient pressure, s(w) develops an energy gap of about 0.17 eV and a pronounced excitonic peak at 0.38 eV, as already reported in the literature. Upon increasing pressure, the energy gap becomes narrower and the excitonic peak is broadened. Above a structural transition at Ps~3 GPa, the energy gap becomes partially filled, indicating that Ta2NiSe5 is a semimetal after the EI state is suppressed by pressure. At higher pressures, s(w) exhibits metallic characteristics with no energy gap. The detailed pressure evolution of s(w) is presented, and discussed mainly in terms of a weakening of excitonic correlation with pressure.

cond-mat.str-el

Domain dependent Fermi arcs observed in a striped phase dichalcogenide

Angle-resolved photoemission spectromicroscopy on IrTe2 reveals evolution of mesoscopic striped domains across its first order phase transition at about 280 K. The striped texture of the domains is characterized by a herringbone arrangement of the electronic anisotropy axes. Under further cooling down to 47 K, the striped domains evolve into trijunction domains with the electronic anisotropy in three directions. Each domain harbors quasi one-dimensional surface bands forming Fermi arcs with peculiar spin polarization. The Fermi arc corresponds to an edge state of the two-dimensional bulk electronic states truncated at the surface, indicating an interesting interplay between the symmetry breaking and the surface electronic states.

cond-mat.str-el

CaCu$_3$Ru$_4$O$_{12}$: a high Kondo-temperature transition metal oxide

We present a comprehensive study of CaCu$_3$Ru$_4$O$_{12}$ using bulk sensitive hard and soft x-ray spectroscopy combined with local-density approximation (LDA) + dynamical mean-field theory (DMFT) calculations. Correlation effects on both the Cu and Ru ions can be observed. From the Cu $2p$ core level spectra we deduce the presence of magnetic Cu$^{2+}$ ions hybridized with a reservoir of itinerant electrons. The strong photon energy dependence of the valence band allows us to disentangle the Ru, Cu, and O contributions and thus to optimize the DMFT calculations. The calculated spin and charge susceptibilities show that the transition metal oxide CaCu$_3$Ru$_4$O$_{12}$ must be classified as a Kondo system and that the Kondo temperature is in the range of 500-1000 K.

cond-mat.str-el

Orbital Peierls mechanism of the formation of molecular clusters in Na2Ti3Cl8 and in similar systems

Recently the structural transition in Na2Ti3Cl8 at 200 K with the formation of triangular Ti3 clusters was studied by ab-initio calculations in PRL 124, 167203 (2020). It was concluded on the basis of the DFT+U results that the usual band effects are not sufficient to explain this transition. The authors then invoked magnetic mechanisms, including complicated factors such as biquadratic and ring exchanges. We point out that this overcomplicated description is unnecessary, and that the formation of trimers, or breathing kagome lattice in Na2Ti3Cl8, and in many other systems, has very simple, almost trivial explanation basing on the orbital-driven Peierls transition.

cond-mat.str-el

Mapping the unoccupied state dispersions in Ta$_2$NiSe$_5$ with resonant inelastic x-ray scattering

The transition metal chalcogenide Ta$_2$NiSe$_5$ undergoes a second-order phase transition at $T_c=328$ K involving a small lattice distortion. Below $T_c$, a band gap at the center of its Brillouin zone increases up to about 0.35 eV. In this work, we study the electronic structure of Ta$_2$NiSe$_5$ in its low-temperature semiconducting phase, using resonant inelastic x-ray scattering (RIXS) at the Ni $L_3$-edge. In addition to a weak fluorescence response, we observe a collection of intense Raman-like peaks that we attribute to electron-hole excitations. Using density functional theory calculations of its electronic band structure, we identify the main Raman-like peaks as interband transitions between valence and conduction bands. By performing angle-dependent RIXS measurements, we uncover the dispersion of these electron-hole excitations that allows us to extract the low-energy boundary of the electron-hole continuum. From the dispersion of the valence band measured by angle-resolved photoemission spectroscopy, we derive the effective mass of the lowest unoccupied conduction band.

cond-mat.str-el

Charge correlation in V$_2$OPO$_4$ probed by hard x-ray photoemission spectroscopy

Electronic properties of V$_2$OPO$_4$ have been investigated by means of hard x-ray photoemission spectroscopy (HAXPES) and subsequent theoretical calculations. The V 1$s$ and 2$p$ HAXPES spectra are consistent with the charge ordering of V$^{2+}$ and V$^{3+}$. The binding energy difference between the V$^{2+}$ and V$^{3+}$ components is unexpectedly large indicating large bonding-antibonding splitting between them in the final states of core level photoemission. The V 1$s$ HAXPES spectrum exhibits a charge transfer satellite which can be analyzed by configuration interaction calculations on a V$_2$O$_9$ cluster. The V 3$d$ spectral weight near the Fermi level is assigned to the 3$d$ $t_{2g}$ orbitals of the V$^{2+}$ site. The broad V 3$d$ spectral distribution is consistent with the strong hybridization between V$^{2+}$ and V$^{3+}$ in the ground state. The core level and valence band HAXPES results indicate substantial charge transfer from the V$^{2+}$ site to the V$^{3+}$ site.7 figure

cond-mat.str-el

Intermittent dynamics of antiferromagnetic phase in inhomogeneous iron-based chalcogenide superconductor

Coexistence of phases, characterized by different electronic degrees of freedom, commonly occurs in layered superconductors. Among them, alkaline intercalated chalcogenides are model systems showing microscale coexistence of paramagnetic (PAR) and antiferromagnetic (AFM) phases, however, temporal behavior of different phases is still unknown. Here, we report the first visualization of the atomic motion in the granular phase of K$_{x}$Fe$_{2-y}$Se$_2$ using X-ray photon correlation spectroscopy. Unlike the PAR phase, the AFM texture reveals an intermittent dynamics with avalanches as in martensites. When cooled down across the superconducting transition temperature T$_c$, the AFM phase goes through an anomalous slowing behavior suggesting a direct relationship between the atomic motions in the AFM phase and the superconductivity. In addition of providing a compelling evidence of avalanche-like dynamics in a layered superconductor, the results provide a basis for new theoretical models to describe quantum states in inhomogeneous solids.

cond-mat.supr-con

Temperature-dependent local structure of superconducting BaPd$_2$As$_2$ and SrPd$_2$As$_2$

The local structures of 122-type paradium arsenides, namely BaPd$_2$As$_2$ and SrPd$_2$As$_2$, are examined by As K-edge extended x-ray absorption fine structure measurements to find a possible correlation between the variation of their superconducting transition temperature and the local structure. The local atomic distances are found to be consistent with average distances measured by diffraction techniques. The temperature dependence of mean square relative displacements reveal that, while BaPd$_2$As$_2$ is characterized by a local As-Pd soft mode, albeit with larger atomic disorder, SrPd$_2$As$_2$ shows anomalous As-Pd correlations with a kink at $\sim$160 K due to hardening by raising temperature. We have discussed implications of these results and possible mechanism of differing superconducting transition temperature in relation with the structural instability.

cond-mat.supr-con

Commensurate vs incommensurate charge ordering near the superconducting dome in Ir$_{1-x}$Pt$_x$Te$_2$ revealed by resonant x-ray scattering

The electronic-structural modulations of Ir$_{1-x}$Pt$_x$Te$_2$ (0 $\leqq x\leqq$ 0.12) have been examined by resonant elastic x-ray scattering (REXS) and resonant inelastic x-ray scattering (RIXS) techniques at both the Ir and Te edges. Charge-density-wave-like superstructure with wave vectors of $\mathbf{Q}$=(1/5 0 $-$1/5), (1/8 0 $-$1/8), and (1/6 0 $-$1/6) are observed on the same sample of IrTe$_2$ at the lowest temperature, the patterns of which are controlled by the cooling speeds. In contrast, superstructures around $\mathbf{Q}$=(1/5 0 $-$1/5) are observed for doped samples (0.02 $\leqq x\leqq$ 0.05). The superstructure reflections persist to higher Pt substitution than previously assumed, demonstrating that a charge density wave (CDW) can coexists with superconductivity. The analysis of the energy-dependent REXS and RIXS lineshape reveals the importance of the Te 5$p$ state rather than the Ir 5$d$ states in the formation of the spatial modulation of these systems. The phase diagram re-examined in this work suggests that the CDW incommensurability may correlate the emergence of superconducting states as-like Cu$_x$TiSe$_2$ and Li$_x$TaS$_2$.

cond-mat.str-el

Localized and mixed valence state of Ce $4f$ in superconducting and ferromagnetic CeO$_{1-x}$F$_{x}$BiS$_{2}$ revealed by x-ray absorption and photoemission spectroscopy

We have performed Ce $L_3$-edge x-ray absorption spectroscopy (XAS) and Ce $4d$-$4f$ resonant photoemission spectroscopy (PES) on single crystals of CeO$_{1-x}$F$_x$BiS$_2$ for $x=0.0$ and 0.5 in order to investigate the Ce $4f$ electronic states. In the Ce $L_3$-edge XAS, mixed valence of Ce was found in the $x=0.0$ sample and the F-doping suppresses it, which is consistent with the results on polycrystalline samples. As for the resonant PES, we found that the Ce $4f$ electrons in both $x=0.0$ and $0.5$ systems respectively form a flat band at 1.0 eV and 1.4 eV below the Fermi level and there is no contribution to the Fermi surfaces. Interestingly, Ce valence in CeOBiS$_2$ deviates from Ce$^{3+}$ even though Ce $4f$ electrons are localized, indicating the Ce valence is not in a typical valence fluctuation regime. We assume that localized Ce $4f$ in CeOBiS$_2$ is mixed with the unoccupied Bi $6p_z$, which is consistent with the previous local structural study. Based on the analysis of the Ce $L_3$-edge XAS spectra using Anderson's impurity model calculation, we found that the transfer integral becomes smaller increasing the number of Ce $4f$ electrons upon the F substitution for O.

cond-mat.supr-con

Fermi surfaces and orbital polarization in superconducting CeO$_{0.5}$F$_{0.5}$BiS$_{2}$ revealed by angle-resolved photoemission spectroscopy

We have investigated the electronic structure of BiS$_2$-based CeO$_{0.5}$F$_{0.5}$BiS$_2$ superconductor using polarization-dependent angle-resolved photoemission spectroscopy (ARPES), and succeeded in elucidating the orbital characters on the Fermi surfaces. In the rectangular Fermi pockets around X point, the straight portion parallel to the $k_y$ direction is dominated by Bi $6p_x$ character. The orbital polarization indicates the underlying quasi-one-dimensional electronic structure of the BiS$_2$ system. Moreover, distortions on tetragonally aligned Bi could give rise to the band Jahn-Teller effect.

cond-mat.supr-con

Electronic structure of Li$_{1+x}$[Mn$_{0.5}$Ni$_{0.5}$]$_{1-x}$O$_2$ studied by photoemission and x-ray absorption spectroscopy

We have studied the electronic structure of Li$_{1+x}$[Mn$_{0.5}$Ni$_{0.5}$]$_{1-x}$O$_2$ ($x$ = 0.00 and 0.05), one of the promising cathode materials for Li ion battery, by means of x-ray photoemission and absorption spectroscopy. The results show that the valences of Mn and Ni are basically 4+ and 2+, respectively. However, the Mn$^{3+}$ component in the $x$ = 0.00 sample gradually increases with the bulk sensitivity of the experiment, indicating that the Jahn-Teller active Mn$^{3+}$ ions are introduced in the bulk due to the site exchange between Li and Ni. The Mn$^{3+}$ component gets negligibly small in the $x$ = 0.05 sample, which indicates that the excess Li suppresses the site exchange and removes the Jahn-Teller active Mn$^{3+}$.

cond-mat.str-el