arXiv subjects

Takuya Nomoto

Publications and source records attributed to Takuya Nomoto.

At least 19 recordsLinked to original sources

arXiv2026

Microscopic calculation of coherence lengths and magnetic penetration depth in multiband superconductors

We present an extended Ginzburg-Landau (GL) method for calculating the superconducting coherence length and magnetic penetration depth at temperatures well below the transition temperature $T_{\mathrm c}$. In contrast to conventional GL theory, which expands the free energy in both the order parameters and their gradients, our method applies a perturbative expansion only to the covariant-gradient terms, while retaining the full dependence on the superconducting order parameters. The coefficients of these terms are determined from finite differences of microscopic free energies evaluated at small imposed pair momenta. The method applies to both single-band and multiband superconductors and therefore provides a framework for incorporating more realistic electronic structures. For the models examined here, the extended GL method agrees well with real-space Bogoliubov-de Gennes (BdG) calculations over a wide temperature range, while requiring substantially less computational effort.

cond-mat.supr-con↗

arXiv2026

Tunnel magnetoresistance effect with a Cr-doped $\mathrm{RuO_{2}}(110)$ altermagnet

Antiferromagnets can have a finite spin-polarization in the momentum space when their magnetic structure breaks the macroscopic time-reversal symmetry. This spin-polarization can produce a spin-polarized electric current even in antiferromagnets with vanishingly small net magnetizaton, which supports the antiferromagentic tunnel magnetoresistance (TMR) effect. In this paper, using first-principles calculations, we study the TMR effect with a doped altermagnet $\mathrm{Ru}_{1-x}\mathrm{Cr}_{x}\mathrm{O}_{2}$ with $(110)$ orientation, whose collinear antiferromagnetic structure breaks the time-reversal symmetry macroscopically. The momentum-dependent spin-polarization combined with the $(110)$ crystal orientation makes the electric current spin-polarized through bulk $\mathrm{Ru}_{1-x}\mathrm{Cr}_{x}\mathrm{O}_{2}(110)$. We further calculate the TMR effect in the $\mathrm{Ru}_{1-x}\mathrm{Cr}_{x}\mathrm{O}_{2}(110)/\mathrm{TiO_{2}}(110)/\mathrm{Ru}_{1-x}\mathrm{Cr}_{x}\mathrm{O}_{2}(110)$ tunnel junction and show that a finite TMR effect emerges. Based on the analysis of the tunneling transport, the TMR effect is attributed to the spin polarized tunneling transport with momentum dependence and the interfacial magnetic structures, as well as the spin-polarized electric current in a bulk form of $\mathrm{Ru}_{1-x}\mathrm{Cr}_{x}\mathrm{O}_{2}(110)$.

cond-mat.mtrl-sci↗

arXiv2026

Collinear ferromagnetism with reduced moment length in kagome magnet Nd3Ru4Al12

We determine the magnetic ground state of the kagome lattice magnet Nd3Ru4Al12 by single-crystal neutron diffraction, supported by experiments with polarized neutrons. We identify this material as a collinear ferromagnet ("hex-FM") with uniform moment length mc = 2.1 {\mu}B/Nd and ordering vector Q = 0, in contrast to a previous, seminal report that proposed unequal moment lengths on two Nd sites, here called the "ortho-FM" state. Our analysis of the flipping ratio in polarized neutron scattering is consistent with the hex-FM state. The results provide a microscopic basis for understanding the large fluctuation-induced Hall and Nernst responses near TC = 41 K, as previously reported for Nd3Ru4Al12.

cond-mat.str-el↗

arXiv2026

Effect of uniaxial stress on helimagnetic phases in the square-lattice itinerant magnet EuAl$_{4}$

We investigate uniaxial-stress effects on the magnetic phase diagram of the square-lattice itinerant magnet EuAl$_{4}$, where strong coupling among spin, lattice, and charge produces a variety of helimagnetic phases, including rhombic and square skyrmion lattices. Combining resistivity and magnetization measurements with neutron scattering, we find that compressive stresses of only several tens of megapascal along [010] enhance antiferromagnetic character and shorten the magnetic modulation period in the lowest-temperature single-Q spiral state, thereby driving the critical temperatures and fields of multiple phases to higher values. First-principles calculations show that increasing orthorhombic lattice distortion deforms the Fermi surface relevant to the magnetism, providing compelling evidence that Fermi-surface nesting plays a crucial role in stabilizing the helical magnetic modulations in EuAl$_{4}$.

cond-mat.str-el↗

arXiv2026

First-principles calculation of coherence length and penetration depth based on density functional theory for superconductors

We develop a first-principles framework for evaluating the fundamental length scales of superconductivity, namely the coherence length $\xi_0$ and the magnetic penetration depth $\lambda_\mathrm{L}$, within superconducting density functional theory (SCDFT). By incorporating finite-momentum Cooper pairs, we formulate a microscopic scheme that enables a consistent and parameter-free determination of $\xi_0$, $\lambda_\mathrm{L}$, and the superconducting transition temperature $T_\mathrm{c}$ on the same theoretical footing. Applying the method to representative elemental superconductors, the A15 compound V$_3$Si, and H$_3$S under high pressure, we obtain results in good agreement with available experimental and reproduce the type-I/type-II classification across all materials studied. The unified access to $\xi_0$ and $\lambda_\mathrm{L}$ further allows us to construct the Uemura plot entirely from first principles, showing that higher-$T_\mathrm{c}$ systems are characterized by the simultaneous realization of strong pairing and large phase stiffness. Our results establish a predictive first-principles route to superconducting length scales and provide a microscopic interpretation of empirical correlations in superconductivity.

cond-mat.supr-con↗

arXiv2026

Systematic Magnetic Structure Generation Based on Oriented Spin Space Groups: Formulation, Applications, and High-Throughput First-Principles Calculations

We propose a framework for generating magnetic structures, inspired by the concept of oriented spin space groups (SSGs): magnetic structures are first generated as totally symmetric representations of an SSG and are then rotated such that they belong to the maximal magnetic space group of the SSG, which we term spin-symmetry-adapted (SSA) structures and oriented SSA structures, respectively. This is a natural framework to enforce fixed magnetic moment magnitudes on the symmetry-equivalent sites as well as to exploit the spin-orbit coupling (SOC)-induced hierarchy of energy scales. To examine the present scheme, we analyze the MAGNDATA database and find that 77% of the reported structures are reproducible at the SSG level, among which 82% are fully reproduced within the oriented SSG scheme, regardless of their spin-only group types or propagation vectors. To quantitatively assess computational and predictive performance, we perform spin density functional theory calculations for 283 materials, first carrying out self-consistent calculations for SSA structures without SOC, followed by fixed-charge calculations including SOC for the descendant oriented SSA structures. The experimental magnetic structures are reproduced as energetically most stable in 82% of cases at the SSG level without SOC and in 76% of cases at the oriented SSG level with SOC, showing that the fixed-charge scheme enables accurate evaluation of SOC-induced energy differences at low computational cost. The characteristic energy scale among oriented SSA structures is only $\sim$0.29 meV per magnetic atom, about 300 times smaller than that of distinct SSA structures. These results demonstrate that oriented SSG-based enumeration, combined with the two-step calculations for SSA and oriented SSA structures, provides an efficient and robust route for large-scale magnetic-structure prediction.

cond-mat.mtrl-sci↗

arXiv2025

Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models

We develop a calculation scheme using \textit{ab initio} tight-binding Hamiltonians to evaluate biquadratic magnetic interactions. This approach relies on the spin cluster expansion combined with the disordered local moment (DLM) method, originally developed within the multiple scattering Korringa-Kohn-Rostoker method. Applying it to a single-orbital Hubbard model with two sublattices, we show that the evaluated DLM biquadratic interactions are in good agreement with those obtained from the strongly correlated limit, demonstrating the wide applicability of the method to various magnetic systems with large local moments. We then apply it to the \textit{ab initio} tight-binding models for elemental magnetic metals; the resulting magnetic interactions align well with previous literature. Finally, we explore its performance in more complex compounds, such as transition metal dichalcogenides with intercalation of 3\textit{d} transition metals and potassium electrosodalite. The obtained results for both compounds show good agreement with experiments. The present approach offers a convenient \textit{ab initio} path for evaluating biquadratic interactions and understanding the electronic mechanisms controlling them.

cond-mat.str-el↗

arXiv2025

Higher-order epitaxy: A pathway to suppressing structural instability and emergent superconductivity

Molecular beam epitaxy enables the growth of thin film materials with novel properties and functionalities. Typically, the lattice constants of films and substrates are designed to match to minimise disorders and strains. However, significant lattice mismatches can result in higher-order epitaxy, where commensurate growth occurs with a period defined by integer multiples of the lattice constants. Despite its potential, higher-order epitaxy is rarely used to enhance material properties or induce emergent phenomena. Here, we report single-crystalline FeTe films grown via 6:5 commensurate higher-order epitaxy on CdTe(001) substrates. Scanning transmission electron microscopy reveals self-organised periodic interstitials near the interface, arising from higher-order lattice matching. Synchrotron x-ray diffraction shows that the tetragonal-to-monoclinic structural transition in bulk FeTe is strongly suppressed. Remarkably, these films exhibit substrate-selective two-dimensional superconductivity, likely due to suppressed monoclinic distortion. These findings demonstrate the potential of higher-order epitaxy as a tool to control materials and inducing emergent phenomena.

cond-mat.mtrl-sci↗

arXiv2025

Ab initio study of magnetoresistance effect in $\mathrm{Mn_{3}Sn}/\mathrm{MgO}/\mathrm{Mn_{3}Sn}$ antiferromagnetic tunnel junction

The antiferromagnets with the time-reversal symmetry broken magnetic structures possess a finite spin splitting in the momentum space, and may contribute to a realization of a finite tunnel magnetoresistance (TMR) effect even with magnets with zero net spin polarization. In this paper, we study the TMR effect with the noncollinear antiferromagnet $\mathrm{Mn_{3}Sn}$ whose inverse $120^{\circ}$ antiferromagnetic order breaks the time-reversal symmetry. In particular, we employ the representative barrier material $\mathrm{MgO}$ as the tunnel insulator, and calculate the TMR effect in the $\mathrm{Mn_{3}Sn}(01\bar{1}0)/\mathrm{MgO}(110)/\mathrm{Mn_{3}Sn}$ magnetic tunnel junctions (MTJs), which has an optimal geometry for the spin-orbit torque switching of the magnetic configurations. We show that a finite TMR ratio reaching $\gtrsim 1000\%$ appears in the $\mathrm{Mn_{3}Sn}/\mathrm{MgO}/\mathrm{Mn_{3}Sn}$ MTJs, which is due to the spin splitting properties of $\mathrm{Mn_{3}Sn}$ in the momentum space combined with the screening effect of $\mathrm{MgO}$.

cond-mat.mes-hall↗

arXiv2025

Metallic $p$-wave magnet with commensurate spin helix

Antiferromagnetic states with spin-split electronic structure give rise to novel spintronic, magnonic, and electronic phenomena despite (near-) zero net magnetization. The simplest odd-parity spin splitting - $p$-wave - was originally proposed to emerge from a collective instability in interacting electron systems. Recent theory identifies a distinct route to realise $p$-wave spin-split electronic bands without strong correlations, termed $p$-wave magnetism. Here we demonstrate an experimental realisation of a metallic $p$-wave magnet. The odd-parity spin splitting of delocalised conduction electrons arises from their coupling to an antiferromagnetic texture of localised magnetic moments: a coplanar spin helix whose magnetic period is an even multiple of the chemical unit cell, as revealed by X-ray scattering experiments. This texture breaks space inversion symmetry but preserves time-reversal ($T$) symmetry up to a half-unit-cell translation - thereby fulfilling the symmetry conditions for $p$-wave magnetism. Consistent with theoretical predictions, our $p$-wave magnet exhibits a characteristic anisotropy in the electronic conductivity. Relativistic spin-orbit coupling and a tiny spontaneous net magnetization further break $T$ symmetry, resulting in a giant anomalous Hall effect (AHE, $σ_{xy}>600\,$S/cm, Hall angle $>3\,\%$), for an antiferromagnet. Our model calculations show that the spin nodal planes found in the electronic structure of $p$-wave magnets are readily gapped by a small perturbation to induce the AHE.

cond-mat.str-el↗

arXiv2025

Entropy-assisted, long-period stacking of honeycomb layers in an AlB2-type silicide

Configurational entropy can impact crystallization processes, tipping the scales between structures of nearly equal internal energy. Using alloyed single crystals of Gd2PdSi3 in the AlB2-type structure, we explore the formation of complex layer sequences made from alternating, two-dimensional triangular and honeycomb slabs. A four-period and an eight-period stacking sequence are found to be very close in internal energy, the latter being favored by entropy associated with covering the full configuration space of interlayer bonds. Possible consequences of polytype formation on magnetism in Gd2PdSi3 are discussed.

cond-mat.mtrl-sci↗

arXiv2025

Spin Models and Cluster Multipole Method: Application to Kagome Magnets

We present a multi-scale computational approach that combines atomistic spin models with the cluster multipole (CMP) method. The CMP method enables a systematic and accurate generation of complex non-collinear magnetic structures using symmetry-adapted representations. The parameters of the spin model are derived from density functional theory using the magnetic force theorem, with the paramagnetic state as a reference. The energy landscape of CMP-generated structures is inspected at the model Hamiltonian level, and sets of low-energy magnetic structures are identified for each material candidate. The inclusion of relativistic antisymmetric and anisotropic pair interactions lifts partially the degeneracy among these most stable structures. To demonstrate the applicability and predictive capability of the method, we apply it to the non-collinear Mn3X and collinear Fe3X (X = Ga, Ge, and Sn) kagome compounds. The computational efficiency of the method in identifying low-energy structures among multiple CMP configurations highlights its potential for high-throughput screening of complex magnets with unknown magnetic order.

cond-mat.mtrl-sci↗

arXiv2025

Symmetry-adapted closest Wannier modeling based on complete multipole basis set

We have developed a method to construct a symmetry-adapted Wannier tight-binding model based on the closest Wannier formalism and the symmetry-adapted multipole theory. Since the symmetry properties of the closest Wannier functions are common to those of the original atomic orbitals, symmetry-adapted multipole basis (SAMB) can be defined as the complete orthonormal matrix basis set in the Hilbert space of the closest Wannier functions. Utilizing the completeness and orthonormality of SAMBs, the closest Wannier Hamiltonian can be expressed as a linear combination of SAMBs belonging to the identity irreducible representation, thereby fully restoring the symmetry of the system. Moreover, the linear coefficients of each SAMB (model parameters) related to crystalline electric fields, spin-orbit coupling, and electron hoppings are determined through simple matrix projection without any iterative procedure. Thus, this method allows us to unveil mutual interplay among hidden electronic multipole degrees of freedom in the Hamiltonian and numerically evaluate them. We demonstrate the effectiveness of our method by modeling monolayer graphene under a perpendicular electric field, highlighting its utility in symmetrizing the closest Wannier model, quantifying symmetry breaking, and predicting unusual responses. The method is implemented in the open-source Python library SymClosestWannier, with the codes available on GitHub (https://github.com/CMT-MU/SymClosestWannier).

cond-mat.mtrl-sci↗

arXiv2024

Giant Hall effect in a highly conductive frustrated magnet GdCu$_2$

The Hall effect is one of the most fundamental but elusive phenomena in condensed matter physics due to the rich variety of underlying mechanisms. Here we report an exceptionally large Hall effect in a frustrated magnet GdCu$_2$ with high conductivity. The Hall conductivity at the base temperature is as high as 4 x 10$^4$ $Ω^{-1}$cm$^{-1}$ and shows abrupt sign changes under magnetic fields. Remarkably, the giant Hall effect is rapidly suppressed as the longitudinal conductivity is lowered upon increasing temperature or introducing tiny amount of quenched disorder. Our systematic transport measurements together with neutron scattering measurements and ab initio band calculations indicate that the unusual Hall effect can be understood in terms of spin-splitting induced emergence/disappearance of Fermi pockets as well as skew scattering from spin-chiral cluster fluctuations in a field-polarized state. The present study demonstrates complex interplay among magnetization, spin-dependent electronic structure, and spin fluctuations in producing the giant Hall effect in highly conductive frustrated magnets.

cond-mat.str-el↗

arXiv2024

Approaches to tunnel magnetoresistance effect with antiferromagnets

The tunnel magnetoresistance (TMR) effect is one of the representative phenomena in spintronics. Ferromagnets, which have a net spin polarization, have been utilized for the TMR effect. Recently, by contrast, the TMR effect with antiferromagnets, which do not possess a macroscopic spin polarization, has been proposed, and also been observed in experiments. In this topical review, we discuss recent developments in the TMR effect, particularly focusing on the TMR effect with antiferromagnets. First, we review how the TMR effect can occur in antiferromagnetic tunnel junctions. The Julliere model, which has been conventionally utilized to grasp the TMR effect with ferromagnets, breaks down for the antiferromagnetic TMR effect. Instead, we see that the momentum dependent spin splitting explains the antiferromagnetic TMR effect. After that, we revisit the TMR effect from viewpoint of the local density of states (LDOS). We particularly focus on the LDOS inside the barrier, and show that the product of the LDOS will qualitatively capture the TMR effect not only in the ferromagnetic tunnel junctions but also in the ferrimagnetic and antiferromagnetic tunnel junctions. This method is expected to work usefully for designing magnetic tunnel junctions.

cond-mat.mes-hall↗

arXiv2024

Topological Hall effect of Skyrmions from First Principles

We formulate a first-principles approach for calculating the topological Hall effect (THE) in magnets with noncollinear nanoscale spin textures. We employ a modeling method to determine the effective magnetic field induced by the spin texture, thereby circumventing the computational challenges associated with superlattice calculations. Based on these results, we construct a Wannier tight-binding Hamiltonian to characterize the electronic states and calculate the Hall conductivity. Applying this approach to the skyrmion material $\rm Gd_2PdSi_3$ shows good agreement with experimental data. Our analysis in momentum space further reveals that the dominant contribution to the THE arises from the crossing points between the folded bands along high-symmetry lines in the Brillouin zone. This work advances numerical techniques for simulating general magnetic system, examplified by but not restricted to skyrmion lattice, and its result offering insights into the complex interplay between spin textures and electronic transport.

cond-mat.mes-hall↗

arXiv2024

First-principles study on tunnel magnetoresistance effect with Cr-doped RuO$_{2}$ electrode

We investigate the functionality of the $\mathrm{Cr}$-doped $\mathrm{RuO_{2}}$ as an electrode of the magnetic tunnel junction (MTJ), motivated by the recent experiment showing that $\mathrm{Cr}$-doping into the rutile-type $\mathrm{RuO_{2}}$ will be an effective tool to control its antiferromagnetic order and the resultant magnetotransport phenomena easily. We perform first-principles calculation of the tunnel magnetoresistance (TMR) effect in the MTJ based on the $\mathrm{Cr}$-doped $\mathrm{RuO_{2}}$ electrodes. We find that a finite TMR effect appears in the MTJ originating from the momentum-dependent spin splitting in the electrodes, which suggests that $\mathrm{RuO_{2}}$ with Cr-doping will work as the electrode of the MTJ. We also show that this TMR effect can be qualitatively captured using the local density of states inside the tunnel barrier.

cond-mat.mes-hall↗

arXiv2024

Efficient anisotropic Migdal-Eliashberg calculations with the Intermediate Representation basis and Wannier interpolation

In this study, we combine the ab initio Migdal-Eliashberg approach with the intermediate representation for the Green's function, enabling accurate and efficient calculations of the momentum-dependent superconducting gap function while fully considering the effect of the Coulomb retardation. Unlike the conventional scheme that relies on a uniform sampling across Matsubara frequencies - demanding hundreds to thousands of points - the intermediate representation works with fewer than 100 sampled Matsubara Green's functions. The developed methodology is applied to investigate the superconducting properties of three representative low-temperature elemental metals: aluminum (Al), lead (Pb), and niobium (Nb). The results demonstrate the power and reliability of our computational technique to accurately solve the ab initio anisotropic Migdal-Eliashberg equations even at extremely low temperatures, below 1 Kelvin.

cond-mat.supr-con↗