arXiv subjects

Satoshi Okamoto

Publications and source records attributed to Satoshi Okamoto.

At least 73 records · Page 4Linked to original sources

arXiv2020

Robust ferromagnetism in highly strained SrCoO3 thin films

Epitaxial strain provides important pathways to control the magnetic and electronic states in transition metal oxides. However, the large strain is usually accompanied by a strong reduction of the oxygen vacancy formation energy, which hinders the direct manipulation of their intrinsic properties. Here using a post-deposition ozone annealing method, we obtained a series of oxygen stoichiometric SrCoO3 thin films with the tensile strain up to 3.0%. We observed a robust ferromagnetic ground state in all strained thin films, while interestingly the tensile strain triggers a distinct metal to insulator transition along with the increase of the tensile strain. The persistent ferromagnetic state across the electrical transition therefore suggests that the magnetic state is directly correlated with the localized electrons, rather than the itinerant ones, which then calls for further investigation of the intrinsic mechanism of this magnetic compound beyond the double-exchange mechanism.

cond-mat.str-el↗

arXiv2020

Realizing gapped surface states in magnetic topological insulator MnBi$_{2-x}$Sb$_{x}$Te$_{4}$

The interplay between magnetism and non-trivial topology in magnetic topological insulators (MTI) is expected to give rise to a variety of exotic topological quantum phenomena, such as the quantum anomalous Hall (QAH) effect and the topological axion states. A key to assessing these novel properties is to tune the Fermi level in the exchange gap of the Dirac surface band. MnBi$_2$Te$_4$ possesses non-trivial band topology with intrinsic antiferromagnetic (AFM) state that can enable all of these quantum states, however, highly electron-doped nature of the MnBi$_2$Te$_4$ crystals obstructs the exhibition of the gapped topological surface states. Here, we tailor the material through Sb-substitution to reveal the gapped surface states in MnBi$_{2-x}$Sb$_{x}$Te$_{4}$ (MBST). By shifting the Fermi level into the bulk band gap of MBST, we access the surface states and show a band gap of 50 meV at the Dirac point from quasi-particle interference (QPI) measured by scanning tunneling microscopy/spectroscopy (STM/STS). Surface-dominant conduction is confirmed below the Néel temperature through transport spectroscopy measured by multiprobe STM. The surface band gap is robust against out-of-plane magnetic field despite the promotion of field-induced ferromagnetism. The realization of bulk-insulating MTI with the large exchange gap offers a promising platform for exploring emergent topological phenomena.

cond-mat.mtrl-sci↗

arXiv2020

Dynamical and thermal magnetic properties of the Kitaev spin liquid candidate $α$-RuCl$_3$

What is the correct low-energy spin Hamiltonian description of $α$-RuCl$_3$? The material is a promising Kitaev spin liquid candidate, but is also known to order magnetically, the description of which necessitates additional interaction terms. The nature of these interactions, their magnitudes and even signs, remain an open question. In this work we systematically investigate dynamical and thermodynamic magnetic properties of proposed effective Hamiltonians. We calculate zero-temperature inelastic neutron scattering (INS) intensities using exact diagonalization, and magnetic specific heat using a thermal pure quantum states method. We find that no single current model satisfactorily explains all observed phenomena of $α$-RuCl$_3$. In particular, we find that Hamiltonians derived from first principles can capture the experimentally observed high-temperature peak in the magnetic specific heat, while overestimating the magnon energy at the zone center. In contrast, other models reproduce important features of the INS data, but do not adequately describe the magnetic specific heat. To address this discrepancy we propose a modified ab initio model that is consistent with both magnetic specific heat and low-energy features of INS data.

cond-mat.str-el↗

arXiv2019

Critical spin fluctuation mechanism for the spin Hall effect

We propose mechanisms for the spin Hall effect in metallic systems arising from the coupling between conduction electrons and local magnetic moments that are dynamically fluctuating. Both a side-jump-type mechanism and a skew-scattering-type mechanism are considered. In either case, dynamical spin fluctuation gives rise to a nontrivial temperature dependence in the spin Hall conductivity. This leads to the enhancement in the spin Hall conductivity at nonzero temperatures near the ferromagnetic instability. The proposed mechanisms could be observed in $4d$ or $5d$ metallic compounds.

cond-mat.str-el↗

arXiv2019

Thermal Hall Effect Induced by Magnon-Phonon Interactions

We propose a new mechanism for the thermal Hall effect in exchange spin-wave systems, which is induced by the magnon-phonon interaction. Using symmetry arguments, we first show that this effect is quite general, and exists whenever the mirror symmetry in the direction of the magnetization is broken. We then demonstrate our result in a collinear ferromagnet on a square lattice, with perpendicular easy-axis anisotropy and Dzyaloshinskii-Moriya interaction from mirror symmetry breaking. We show that the thermal Hall conductivity is controlled by the resonant contribution from the anti-crossing points between the magnon and phonon branches, and estimate its size to be comparable to that of the magnon mediated thermal Hall effect.

cond-mat.mes-hall↗

arXiv2019

Deriving models for the Kitaev spin-liquid candidate material $α$-RuCl$_3$ from first principles

We use the constrained random phase approximation (cRPA) to derive from first principles the Ru-$t_{2g}$ Wannier function based model for the Kitaev spin-liquid candidate material $α$-RuCl$_3$. We find the non-local Coulomb repulsion to be sizable compared to the local one. In addition we obtain the contribution to the Hamiltonian from the spin-orbit coupling and find it to also contain non-negligible non-local terms. We invoke strong coupling perturbation theory to investigate the influence of these non-local elements of the Coulomb repulsion and the spin-orbit coupling on the magnetic interactions. We find that the non-local Coulomb repulsions cause a strong enhancement of the magnetic interactions, which deviate from experimental fits reported in the literature. Our results contribute to the understanding and design of quantum spin liquid materials via first principles calculations.

cond-mat.str-el↗

arXiv2019

Structural, Electronic and Magnetic Properties of Bulk and Epitaxial LaCoO$_3$ through Diffusion Monte Carlo

Magnetism in lanthanum cobaltite (LCO, LaCoO$_3$) appears to be strongly dependent on strain, defects, and nanostructuring. LCO on strontium titanate (STO, SrTiO$_3$) is a ferromagnet with an interesting strain relaxation mechanism that yields a lattice modulation. However, the driving force of the ferromagnetism is still controversial. Experiments debate between a vacancy-driven or strain-driven mechanism for the ferromagnetism of epitaxial LCO. We found that a weak lateral modulation of the superstructure is sufficient to promote ferromagnetism. We find that ferromagnetism appears under uniaxial compression and expansion. Although earlier experiments suggest that bulk LCO is nonmagnetic, we find an antiferromagnetic ground state for bulk LCO. We discuss the recent experiments which indicate a more complicated picture for bulk magnetism and a closer agreement with our calculations. Role of defects are also discussed through excited state calculations.

cond-mat.mtrl-sci↗

arXiv2019

Quasi 2-D magnetism in the Kagome layer compound FeSn

Single crystals of the single Kagome layer compound FeSn are investigated using x-ray and neutron scattering, magnetic susceptibility and magnetization, heat capacity, resistivity, Hall, Seebeck, thermal expansion, thermal conductivity measurements and density functional theory (DFT). FeSn is a planar antiferromagnet below TN = 365 K and exhibits ferromagnetic magnetic order within each Kagome layer. The in-plane magnetic susceptibility is sensitive to synthesis conditions. Resistivity, Hall and Seebeck results indicate multiple bands near the Fermi energy. The resistivity of FeSn is about 3 times lower for current along the stacking direction than in the plane, suggesting that transport and the bulk electronic structure of FeSn is not quasi 2D. FeSn is an excellent metal with Rho(300K)/Rho(2K) values about 100 in both directions. While the ordered state is antiferromagnetic, high temperature susceptibility measurements indicate a ferromagnetic Curie-Weiss temperature of 173 K, reflecting the strong in-plane ferromagnetic interactions. DFT calculations show a 3D electronic structure with the Dirac nodal lines along the K-H directions in the magnetic Brillouin zone about 0.3 eV below the Fermi energy, with the Dirac dispersions at the K points gapped by spin-orbit coupling except at the H point. The magnetism, however, is highly 2D with Jin-plane/Jout-of-plane = 10. The predicted spin-wave spectrum is presented.

cond-mat.mtrl-sci↗

arXiv2019

Topological Hall Effect and Emergent Skyrmion Crystal in Manganite-Iridate Oxide Interfaces

Scalar spin chirality is expected to induce a finite contribution to the Hall response at low temperatures. We study this spin-chirality-driven Hall effect, known as the topological Hall effect, at the manganite side of the interface between La$_{1-x}$Sr$_{x}$MnO$_{3}$ and SrIrO$_3$. The ferromagnetic double-exchange hopping at the manganite layer, in conjunction with the Dzyaloshinskii-Moriya (DM) interaction which arises at the interface due to broken inversion symmetry and strong spin-orbit coupling from the iridate layer, could produce a skyrmion-crystal (SkX) phase in the presence of an external magnetic field. Using the Monte Carlo technique and a two-orbital spin-fermion model for manganites, supplemented by an in-plane DM interaction, we obtain phase diagrams which reveal at low temperatures a clear SkX phase and also a low-field spin-spiral phase. Increasing temperature, a skyrmion-gas phase, precursor of the SkX phase upon cooling, was identified. The topological Hall effect primarily appears in the SkX phase, as observed before in oxide heterostructures. We conclude that the manganite-iridate superlattices provide another useful platform to explore a plethora of unconventional magnetic and transport properties.

cond-mat.str-el↗

arXiv2019

Quasi-2D magnetism and origin of the Dirac semimetallic behavior in nonstoichiometric Sr$_{1-y}$Mn$_{1-z}$Sb$_{2}$ (y, z~$<$0.1)

Nonstoichiometric Sr$_{1-y}$Mn$_{1-z}$Sb$_{2}$ (y, z~$<$0.1) is known to exhibit a coexistence of magnetic order and the nontrivial semimetallic behavior related to Dirac or Weyl fermions. Here, we report inelastic neutron scattering analyses of the spin dynamics and density functional theory studies on the electronic properties of Sr$_{1-y}$Mn$_{1-z}$Sb$_{2}$. We observe a relatively large spin excitation gap $\approx$ 8.5 meV at 5 K, and the interlayer magnetic exchange constant only 2.8 \% of the dominant intralayer magnetic interaction, providing evidence that Sr$_{1-y}$Mn$_{1-z}$Sb$_{2}$ exhibits a quasi-2D magnetism. Using density functional theory, we find a strong influence of magnetic orders on the electronic band structure and the Dirac dispersions near the Fermi level along the Y-S direction in the presence of a ferromagnetic ordering. Our study unveils novel interplay between the magnetic order, magnetic transition, and electronic property in Sr$_{1-y}$Mn$_{1-z}$Sb$_{2}$, and opens new pathways to control the relativistic band structure through magnetism in ternary compounds.

cond-mat.str-el↗

arXiv2018

Stacking-Dependent Magnetism in Bilayer CrI$_3$

We report the connection between the stacking order and magnetic properties of bilayer CrI$_3$ using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order one can tune the interlayer exchange interaction between antiferromagnetic and ferromagnetic. To measure the predicted stacking-dependent magnetism, we propose using linear magnetoelectric effect. Our results not only gives a possible explanation for the observed antiferromagnetism in bilayer CrI$_3$ but also have direct implications in heterostructures made of two-dimensional magnets.

cond-mat.mtrl-sci↗

arXiv2018

Spin Nernst effect in the Paramagnetic Regime of An Antiferromagnetic Insulator

We theoretically investigate a pure spin Hall current driven by a longitudinal temperature gradient, i.e., the spin Nernst effect (SNE), in a paramagnetic state of a collinear antiferromagnetic insulator with the Dzyaloshinskii-Moriya interaction. The SNE in a magnetic ordered state in such an insulator was proposed by Cheng {\it et al.} [R. Cheng, S. Okamoto, and D. Xiao, Phys. Rev. Lett. 117, 217202 (2016)]. Here we show that the Dzyaloshinskii-Moriya interaction can generate a pure spin Hall current even without magnetic ordering. By using a Schwinger boson mean-field theory, we calculate the temperature dependence of SNE in a disordered phase. We also discuss the implication of our results to experimental realizations.

cond-mat.mes-hall↗

arXiv2018

Anisotropic antiferromagnetic order in spin-orbit coupled trigonal lattice Ca2Sr2IrO6

We used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca2Sr2IrO6. The crystal structure is determined to be $R\bar3$ with two distinct Ir sites. The system exhibits long-range antiferromagnetic order below $T_N = 13.1$ K. The magnetic wave vector is identified as $(0,0.5,1)$ with ferromagnetic coupling along the $a$ axis and antiferromagnetic correlation along the $b$ axis. Spins align dominantly within the basal plane along the [1,2,0] direction and tilt 34$^\circ$ towards the $c$ axis. The ordered moment is 0.66(3) $μ_B$/Ir, larger than other iridates where iridium ions form corner- or edge-sharing $\rm IrO_6$ octahedral networks. The tilting angle is reduced to $\approx19^\circ$ when a magnetic field of 4.9 Tesla is applied along the $c$ axis. Density functional theory calculations confirm that the experimentally determined magnetic configuration is the most probable ground state with an insulating gap $\sim0.5$~eV.

cond-mat.str-el↗

arXiv2018

Accuracy of the microcanonical Lanczos method to compute real-frequency dynamical spectral functions of quantum models at finite temperatures

We examine the accuracy of the microcanonical Lanczos method (MCLM) developed by Long, {\it et al.} [Phys. Rev. B {\bf 68}, 235106 (2003)] to compute dynamical spectral functions of interacting quantum models at finite temperatures. The MCLM is based on the microcanonical ensemble, which becomes exact in the thermodynamic limit. To apply the microcanonical ensemble at a fixed temperature, one has to find energy eigenstates with the energy eigenvalue corresponding to the internal energy in the canonical ensemble. Here, we propose to use thermal pure quantum state methods by Sugiura and Shimizu [Phys. Rev. Lett. {\bf 111}, 010401 (2013)] to obtain the internal energy. After obtaining the energy eigenstates using the Lanczos diagonalization method, dynamical quantities are computed via a continued fraction expansion, a standard procedure for Lanczos-based numerical methods. Using one-dimensional antiferromagnetic Heisenberg chains with $S=1/2$, we demonstrate that the proposed procedure is reasonably accurate even for relatively small systems.

cond-mat.str-el↗

arXiv2018

Transition-Metal Oxide (111) bilayers

Correlated electron systems on a honeycomb lattice have emerged as a fertile playground to explore exotic electronic phenomena. Theoretical and experimental work has appeared to realize novel behavior, including quantum Hall effects and valleytronics, mainly focusing on van der Waals compounds, such as graphene, chalcogenides, and halides. In this article, we review our theoretical study on perovskite transition-metal oxides (TMOs) as an alternative system to realize such exotic phenomena. We demonstrate that novel quantum Hall effects and related phenomena associated with the honeycomb structure could be artificially designed by such TMOs by growing their heterostructures along the [111] crystallographic axis. One of the important predictions is that such TMO heterostructures could support two-dimensional topological insulating states. The strong correlation effects inherent to TM $d$ electrons further enrich the behavior.

cond-mat.mtrl-sci↗

arXiv2017

Charge transfer in iridate-manganite superlattices

Charge transfer in superlattices consisting of SrIrO$_3$ and SrMnO$_3$ is investigated using density functional theory. Despite the nearly identical work function and non-polar interfaces between SrIrO$_3$ and SrMnO$_3$, rather large charge transfer was experimentally reported at the interface between them. Here, we report a microscopic model that captures the mechanism behind this phenomenon, providing a qualitative understanding of the experimental observation. This leads to unique strain dependence of such charge transfer in iridate-manganite superlattices. The predicted behavior is consistently verified by experiment with soft x-ray and optical spectroscopy. Our work thus demonstrates a new route to control electronic states in non-polar oxide heterostructures.

cond-mat.mtrl-sci↗

arXiv2017

Localized-itinerant dichotomy and unconventional magnetism in SrRu$_2$O$_6$

Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be at odds with the nominal valence of Ru$^{5+}$ in the $t_{2g}^3$ configuration. Here, we investigate the electronic property of SrRu$_2$O$_6$ using density functional theory (DFT) combined with dynamical-mean-field theory (DMFT). We find that the strong hybridization between Ru $d$ and O $p$ states results in a Ru valence that is closer to $+4$, leading to the small ordered moment $\sim1.2μ_B$. While this is consistent with a DFT prediction, correlation effects are found to play a significant role. The local moment per Ru site remains finite $\sim2.3μ_B$ in the whole temperature range investigated. Due to the lower symmetry, the $t_{2g}$ manifold is split and the quasiparticle weight is renormalized significantly in the $a_{1g}$ state, while the renormalization in $e_g'$ states is about a factor of 2--3 weaker. Our theoretical Neel temperature $\sim700$~K is in reasonable agreement with experimental observations. SrRu$_2$O$_6$ is a unique system in which localized and itinerant electrons coexist with the proximity to an orbitally-selective Mott transition within the $t_{2g}$ sector.

cond-mat.str-el↗

arXiv2017

A Spiral Spin State with Open Boundary Conditions in a Magnetic Field

In order to model a spiral spin state in a thin film, we study a classical Heisenberg model with open boundary conditions. With magnetic field applied in the plane of the film, the spin state becomes ferromagnetic above a critical field that increases with thickness $N$. For a given $N$, the spiral passes through states with $n= n_0$ up to 0 complete periods in steps of 1. These numerical results agree with earlier analytic results in the continuum limit and help explain the susceptibility jumps observed in thin films.

cond-mat.mtrl-sci↗