arXiv subjects

Yusuke Nomura

Publications and source records attributed to Yusuke Nomura.

At least 19 recordsLinked to original sources

arXiv2026

Observation of complex orbital order in MnV2O4

Orbital ordering in vanadium spinel oxides with a geometrically frustrated pyrochlore structure has been a subject of controversy, owing to competing theoretical models and the absence of direct experimental evidence. Here we combine high-precision single-crystal synchrotron x-ray diffraction with core differential fourier synthesis to visualize the valence electron density (VED) of the orbital-ordered ground state in real space. By carefully investigating multiple-scattering artifacts, we identify the low-temperature structure as belonging to the I41/amd space group. The reconstructed VED around the V sites reveals an orbital-ordered state distinct from both previously proposed real- and complex-orbital models. Our results resolve the long-standing controversy in MnV2O4 and establish a route to identifying orbital states in frustrated spin-orbital systems.

cond-mat.str-el↗

arXiv2026

Observation of g-wave altermagnetic multipole

Over the past few years, altermagnets have emerged as a new class of collinear magnets with broken time-reversal symmetry, offering novel opportunities for spintronics beyond conventional magnets. Rather than from net magnetization, as in ferromagnets, the unconventional time-reversal symmetry breaking of altermagnets originates from antiferroic magnetic dipoles locked to higher-order multipoles. Here we report the direct visualization of a $g$-wave altermagnetic multipole in the canonical altermagnet CrSb. Combining high-energy synchrotron X-ray diffraction with valence electron density (VED) analysis, we uncover a pronounced directional anisotropy of the VED distribution alternating between Cr sublattices. This evidences the antiferroic order of electric hexadecapoles predicted in $g$-wave altermagnets. Its coexistence with antiferroic magnetic dipoles induces ferroic magnetic multipoles, as probed by polarized neutron diffraction. We further identify a microscopic model of altermagnetism that directly relates the $g$-wave multipole and the $g$-wave spin splitting. Through direct observation and quantification of multipoles, this study provides a real-space fingerprint of altermagnetism and establishes a general probe of hidden multipole order in quantum materials.

cond-mat.str-el↗

arXiv2026

Bridging ambient- and high-pressure superconductivity in La$_2$LnNi$_2$O$_7$ films

The discovery of high critical-temperature $T_{\mathrm{c}}$ superconductivity near 80 K in bilayer nickelates under high pressure has sparked extensive studies. While superconductivity exceeding 40 K was subsequently discovered at ambient pressure in compressively strained films, the relationship between ambient- and high-pressure regimes remains an open question. Here we present a systematic investigation of superconductivity in compressively strained La$_2$LnNi$_2$O$_7$ films (Ln = lanthanides) at ambient and high pressures. The normal-state resistivity at ambient pressure, revealed by suppressing superconductivity with magnetic fields of 59 T, tends toward $T^2$ behaviour. Under high pressure in a cubic-anvil cell, $T_{\mathrm{c}}$ was enhanced from 41-42 K at ambient pressure to 67-73 K at 16 GPa. On the other hand, lattice compression induced by Ln substitution, which may mimic effects of pressure, lowers $T_{\mathrm{c}}$. In both cases, $T_{\mathrm{c}}$ correlates with the evolution of normal-state transport between $T^2$ and $T$-linear behaviour, offering insight into the interplay between lattice structure and superconductivity in bilayer nickelates.

cond-mat.supr-con↗

arXiv2026

Pressure-induced superconductivity in epitaxially-stabilized Pr$_3$Ni$_2$O$_7$ films

The discovery of high critical-temperature $T_{\mathrm{c}}$ superconductivity in La$_3$Ni$_2$O$_7$ under high pressure has led to a rapid expansion of the $T_{\mathrm{c}}$ range through lanthanide $Ln$ substitution, and to ambient-pressure superconductivity in strained thin films, yet the exploration of new bilayer nickelates remains strongly constrained by thermodynamic stability. Beyond the difficulty of synthesis of bulk single-crystals, here we report on the pressure-induced high-$T_{\mathrm{c}}$ superconductivity in epitaxially-stabilized Pr$_3$Ni$_2$O$_7$ thin films. While the Pr$_3$Ni$_2$O$_7$ films exhibit insulating behaviour at ambient pressure regardless of ozone-annealing treatment, they show $T$-linear metallic transport and superconductivity reaching an onset $T_{\mathrm{c}}$ of 66 K and zero-resistance at nearly 40 K at 22 GPa. Furthermore, Nd$_3$Ni$_2$O$_7$, with the smaller rare-earth ion Nd, can also be stabilized, however, superconductivity is not observed in the measured pressure range. Epitaxial stabilization enables us to examine the dependence of $T_{\mathrm{c}}$ and the critical pressure $P_{\mathrm{c}}$ for superconductivity on the $Ln$ ion in $Ln_3$Ni$_2$O$_7$ ($Ln$ = La, Pr, Nd). These results suggest that a higher $P_{\mathrm{c}}$ is required for smaller $Ln$ ions, consistent with trends observed in bulk studies of $Ln$ substitution. This study demonstrates that epitaxial stabilization is a powerful technique to further expand the family of superconducting bilayer nickelates.

cond-mat.supr-con↗

arXiv2026

Real-space determination of orbital states driving successive phase transitions in FeV2O4

Direct experimental access to orbital states in strongly correlated materials remains a major challenge, despite their central role in driving coupled structural and magnetic phase transitions. In systems where electronic correlations, electron-lattice coupling, and relativistic spin-orbit interactions compete on comparable energy scales, even first-principles calculations often yield multiple metastable solutions, hindering the unambiguous identification of the ground state. Here, we demonstrate that the orbital states of the spinel oxide FeV2O4, which possesses active orbital degrees of freedom on both Fe and V ions, are uniquely resolved by combining valence electron density (VED) analysis based on state-of-the-art synchrotron x-ray diffraction with spin-polarized density-functional-theory calculations. Our results reveal that temperature-dependent rearrangements of orbital occupations drive successive structural transitions that accompany collinear and noncoplanar ferrimagnetic orders, establishing a direct correspondence between orbital anisotropy and spin structure. More broadly, this work shows that experimentally determined VED provides a decisive real-space constraint on competing theoretical solutions, offering a powerful and broadly applicable framework for elucidating the microscopic mechanisms of complex phase transitions in strongly correlated electron systems.

cond-mat.str-el↗

arXiv2026

Spin-orbital exchange as a route to intertwined dipole-quadrupole orbital order in MnV$_2$O$_4$ under strong trigonal crystal field

Orbitally degenerate systems provide a promising platform for realizing novel quantum phases driven by spin-orbital exchange interactions, as described by the Kugel-Khomskii model. Spinel vanadates, in which orbital degrees of freedom remain active, exhibit structural and magnetic transitions accompanied by orbital ordering, but the nature of the orbital state in MnV$_2$O$_4$ remains under debate. Here, we combine first-principles calculations with an effective spin-orbital model to address this problem. We show that a significant trigonal crystal field is present in high-temperature cubic phase and plays an essential role in determining the low-energy degrees of freedom. Based on the resulting parameters, we construct an effective Hamiltonian beyond the conventional dominant-hopping approximation and demonstrate that subdominant hopping processes strongly modify the spin-orbital exchange interactions. As a result, the system stabilizes a two-in/two-out magnetic configuration featuring spin canting and intertwined dipole-quadrupole orbital order.

cond-mat.str-el↗

arXiv2026

Systematic study of superconductivity in few-layer $T_d$-MoTe$_2$

We present a systematic investigation of superconductivity in a topological superconductor candidate $T_{\rm d}$-MoTe$_2$ in the few-layer limit. By examining multiple mechanically exfoliated samples with different thicknesses, substrates and crystal qualities, we quantitatively correlate superconducting temperature ($T_c$) with disorder, carrier density, carrier type and mobility. By integrating these experimental findings with first-principles calculations, we reveal the relationship between the band structure and superconductivity in this material. Notably, in 2 L samples we access a highly hole-doped regime that has not been systematically explored in previous experiments, providing a complementary perspective to earlier studies. In this regime, we demonstrate that superconductivity can be realized in a manner consistent with a conventional phonon-mediated $s_{(++)}$-wave pairing.

cond-mat.mes-hall↗

arXiv2026

Probing the Dynamical Structure Factor of Quantum Spin Chains via Low-Temperature Gibbs States with Matrix Product State Subspace Expansion

Studying finite-temperature properties with tensor networks is notoriously difficult, especially at low temperatures, due to the rapid growth of entanglement and the complexity of thermal states. Existing methods like purification and minimally entangled typical thermal states offer partial solutions but struggle with scalability and accuracy in low-temperature regime. To overcome these limitations, we propose a new approach based on generating-function matrix product states (GFMPS). By directly computing a large set of Bloch-type excited states, we construct Gibbs states that moderate the area-law constraint, enabling accurate and efficient approximation of low-temperature thermal behavior. Our benchmark results show magnificent agreement with both exact diagonalization and experimental observations, validating the accuracy of our approach. This method offers a promising new direction for overcoming the longstanding challenges of studying low-temperature properties within the tensor network framework. We also expect that our method will facilitate the numerical simulation of quantum materials in comparison with experimental observations.

cond-mat.str-el↗

arXiv2025

First-Principles Approach to Spin Excitations in Noncollinear Magnetic Systems

We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations has relied on spin models that assume magnetic moments to be localized. Beyond this restriction, recent $ab~initio$ methods based on Green's functions within the local spin-density approximation have emerged as a general framework for calculating magnetic susceptibilities. However, their application has so far been largely limited to collinear ferromagnetic and antiferromagnetic systems. In this work, we extend this framework and enable the treatment of large-scale noncollinear magnetic systems by leveraging a Wannier-basis representation and implementing an ansatz potential method to reduce computational cost. We apply our method to the spin-spiral state of LiCu$_2$O$_2$, successfully capturing its steady-state spin-rotation pitch in agreement with the experimental measurement and resolving the characteristic magnon dispersion. We further analyze the interplay between the spiral spin structure and the on-site spin-exchange splitting, and elucidate the crucial role of magnetic dipoles on ligand ions in mediating effective ferromagnetic interaction among the primary spins on Cu$^{2+}$ ions. Finally, we provide a theoretical prediction of the magnon dispersion on top of the helical spin background in high agreement with the experimental measurement. Overall, this work establishes a general and computationally efficient framework for simulating collective spin dynamics in noncollinear magnetic systems from first principles, exemplified by -- but not limited to -- spin-spiral states.

cond-mat.mtrl-sci↗

arXiv2025

Visualization of spin-orbit entangled 4f electrons in crystalline materials

Lanthanide 4f electrons are strongly influenced by spin-orbit coupling, resulting in well-defined J multiplets, which are further split by the crystalline electric field in condensed matter. While the anisotropy of 4f electrons is closely linked to material properties, direct experimental observation of the 4f electron distribution in real space remains a significant challenge. Here, we present an approach for visualizing the anisotropic distribution of lanthanide 4f electrons in pyrochlore oxides by combining high-photon-energy X-ray diffraction and valence electron density (VED) analysis based on the core differential Fourier synthesis (CDFS) method. The observed VED distributions around the lanthanide site reveal the parameters of the ground-state wavefunction, which roughly agree with point-charge calculations for the trigonal crystal electric field under the LS coupling scheme. This CDFS-based VED observation method not only provides insights into the anisotropic nature of 4f electrons but also opens a pathway for studying the 4f states in a wide range of crystalline materials.

cond-mat.str-el↗

arXiv2025

Systematic evolution of superconducting pairing strength and Seebeck coefficients in correlated infinite-layer La$_{1-x}$Sr$_x$NiO$_2$

The recently discovered superconducting infinite-layer nickelates offer a novel platform to explore an exotic pairing mechanism in multi-band systems towards high-temperature superconductivity and associated rich quantum phases, contrasting with cuprates. Here, we show that infinite-layer (La,Sr)NiO$_2$ exhibits strong-coupling superconductivity, resilient to in-plane magnetic fields exceeding 47 T at optimal doping - more than twice the Pauli limit for conventional BCS superconductors. This violation becomes pronounced towards the underdoped regime, implying an intriguing evolution of pairing glue. The unexpected observation of positive Seebeck coefficients in this regime indicates the presence of nontrivial electron correlations. Furthermore, our comprehensive investigation across the superconducting dome reveals that the evolution of (thermo)electric normal-state properties - specifically, the sign changes of the Hall and Seebeck coefficients - coincide with the evolution of superconducting anisotropy and pairing strength. This demonstrates a definitive link between electron correlations and strong-coupling superconductivity in (La,Sr)NiO$_2$, contributing to a unified framework for understanding unconventional superconductivity.

cond-mat.supr-con↗

arXiv2025

Luttinger surface and exchange splitting induced by ferromagnetic fluctuations

Ferromagnetism in the single-orbital Hubbard model, which contains only local Coulomb repulsion and no explicit ferromagnetic exchange interactions, has been extensively studied. However, how the associated fluctuations influence the electronic properties near the transition remains a fundamental issue. Here, by applying the dynamical vertex approximation (D$Γ$A) to single-orbital systems with a partially flat band dispersion, we demonstrate that finite-correlation-length ferromagnetic fluctuations generate an emergent Luttinger surface and drive a Fermi surface expansion reminiscent of exchange splitting, even without magnetic order. We further derive an analytical expression that reproduces these effects, clarifying the microscopic origin for fluctuation-driven exchange splitting in correlated electron systems.

cond-mat.str-el↗

arXiv2025

Symmetry-breaking perturbations in the Jahn-Teller-Hubbard model

We study the effect of symmetry-breaking perturbations in the multiorbital Hubbard model coupled to anisotropic Jahn-Teller phonons, which is relevant for the description of fulleride superconductors. This system is often approximated by a model with static antiferromagnetic (AFM) Hund's coupling, in which the coupling to the Jahn-Teller phonon is effectively described, but the retardation effect associated with phonon propagation is neglected. We compare the properties of the models with static AFM Hund's coupling and dynamical Jahn-Teller electron-phonon interaction by means of the Eliashberg theory. Considering the susceptibilities for the spin, magnetic orbital, electric orbital, and superconductivity, we reveal a qualitatively different behavior between the two models in the case of the magnetic orbital susceptibility. We further study the effect of a magnetic field on the $s$-wave spin-singlet superconducting state. In the presence of the field, the magnetic orbital susceptibility becomes nonzero due to a combination of multiorbital and retardation effects, while the spin susceptibility remains zero at low temperatures. By analyzing this phenomenon both numerically and analytically, we clarify that odd-frequency pairs induced by the magnetic field play a crucial role in the spin and orbital magnetic susceptibilities. Thus, the magnetic degrees of freedom produce interesting behaviors in the presence of retardation effects associated with electron-phonon coupling.

cond-mat.supr-con↗

arXiv2025

Strong-coupling high-$T_{\rm c}$ superconductivity in doped correlated band insulators

We explore the superconducting properties of the bilayer Hubbard model, which exhibits a high transition temperature ($T_{\rm c}$) for an $s_{\pm}$ pairing, using a cluster extension of the dynamical mean-field theory. Unlike the single-layer Hubbard model, where the $d$-wave superconductivity emerges by doping the Mott insulator, the parent state of the bilayer system is a correlated band insulator. Above $T_{\rm c}$, slight hole (electron) doping introduces a striking dichotomy between electron and hole pockets: the electron (hole) pocket develops a pseudogap while the other becomes a nearly incipient band. We reveal that the superconductivity is driven by kinetic (potential) energy gain in the underdoped (overdoped) region. We also find a very short coherence length, for which we argue the relevance to multi-orbital physics. Our study offers crucial insights into the superconductivity in the bilayer Hubbard model potentially relevant to La$_3$Ni$_2$O$_7$.

cond-mat.supr-con↗

arXiv2025

Strain-tuning for superconductivity in La$_3$Ni$_2$O$_7$ thin films

The recent discovery of high-transition temperature ($T_\mathrm{c}$) superconductivity in pressurized La$_{3}$Ni$_{2}$O$_{7}$ bulk crystals has attracted keen attention due to its characteristic energy diagram of $e_{g}$ orbitals, containing nearly half-filled $d_{3z^2 - r^2}$ and quarter-filled $d_{x^2 - y^2}$ orbitals. This finding provides valuable insights into the orbital contributions and interlayer interactions in double NiO$_{6}$ octahedra, offering opportunities to control the electronic structure via ligand field variations. Here, we demonstrate strain-tuning of $T_\mathrm{c}$ over a range of 50 K in La$_{3}$Ni$_{2}$O$_{7}$ films grown on different oxide substrates under 20 GPa. As the $c/a$ ratio increases, the onset $T_\mathrm{c}$ systematically rises from 10 K in the tensile-strained film on SrTiO$_{3}$ to a maximum of about 60 K in the compressively strained film on LaAlO$_{3}$. These systematic variations suggest that strain engineering is a promising strategy for expanding superconductivity in bilayer nickelates by tuning the orbital energy landscape toward high-$T_\mathrm{c}$ superconductivity.

cond-mat.supr-con↗

arXiv2025

DiracBilinears.jl: A package for computing Dirac bilinears in solids

DiracBilinears.jl is a Julia package for computing Dirac bilinears, which are fundamental physical quantities of electrons in relativistic quantum theory, using first-principles calculations for solids. In relativistic quantum theory, 16 independent bilinears can be defined using the four-component Dirac field. We take the non-relativistic limit for the bilinears, which corresponds to the $1/m$ expansion, and focus on the low-energy physics typically considered in condensed matter physics. This package can evaluate the spatial distributions and Wannier matrix elements of the Dirac bilinears in solids quantitatively by connecting to the external first-principles calculation packages, including Quantum ESPRESSO, Wannier90, and wan2respack.

cond-mat.mtrl-sci↗

arXiv2024

Bypassing the lattice BCS-BEC crossover in strongly correlated superconductors: resilient coherence from multiorbital physics

Superconductivity emerges from the spatial coherence of a macroscopic condensate of Cooper pairs. Increasingly strong binding and localization of electrons into these pairs compromises the condensate's phase stiffness, thereby limiting critical temperatures -- a phenomenon known as the BCS-BEC crossover in lattice systems. In this study, we demonstrate enhanced superconductivity in a multiorbital model of alkali-doped fullerides (A$_3$C$_{60}$) that goes beyond the limits of the lattice BCS-BEC crossover. We identify that the interplay of strong correlations and multiorbital effects results in a localized superconducting state characterized by a short coherence length but robust stiffness and a domeless rise in critical temperature with increasing pairing interaction. To derive these insights, we introduce a new theoretical framework allowing us to calculate the fundamental length scales of superconductors, namely the coherence length ($ξ_0$) and the London penetration depth ($λ_{\mathrm{L}}$), even in presence of strong electron correlations.

cond-mat.str-el↗

arXiv2024

Derivation of low-energy Hamiltonians for heavy-fermion Materials

By utilizing a multi-orbital periodic Anderson model with parameters obtained from \textit{ab initio} band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic $4f^0$ and magnetic $4f^2$ virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn$_3$. The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of $4f$ materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

cond-mat.str-el↗