arXiv subjects

Hiroaki Ikeda

Publications and source records attributed to Hiroaki Ikeda.

At least 37 records · Page 2Linked to original sources

arXiv2018

First-principles theory of magnetic multipoles in condensed matter systems

The multipole concept, which characterizes the spacial distribution of scalar and vector objects by their angular dependence, has already become widely used in various areas of physics. In recent years it has become employed to systematically classify the anisotropic distribution of electrons and magnetization around atoms in solid state materials. This has been fuelled by the discovery of several physical phenomena that exhibit unusual higher rank multipole moments, beyond that of the conventional degrees of freedom as charge and magnetic dipole moment. Moreover, the higher rank electric/magnetic multipole moments have been suggested as promising order parameters in exotic hidden order phases. While the experimental investigations of such anomalous phases have provided encouraging observations of multipolar order, theoretical approaches have developed at a slower pace. In particular, a materials' specific theory has been missing. The multipole concept has furthermore been recognized as the key quantity which characterizes the resultant configuration of magnetic moments in a cluster of atomic moments. This cluster multipole moment has then been introduced as macroscopic order parameter for a noncollinear antiferromagnetic structure in crystals that can explain unusual physical phenomena whose appearance is determined by the magnetic point group symmetry. It is the purpose of this review to discuss the recent developments in the first-principles theory investigating multipolar degrees of freedom in condensed matter systems. These recent developments exemplify that ab initio electronic structure calculations can unveil detailed insight in the mechanism of physical phenomena caused by the unconventional, multipole degree of freedom.

cond-mat.str-el↗

arXiv2018

Fermi surface with Dirac fermions in CaFeAsF determined via quantum oscillation measurements

Despite the fact that 1111-type iron arsenides hold the record transition temperature of iron-based superconductors, their electronic structures have not been studied much because of the lack of high-quality single crystals. In this study, we completely determine the Fermi surface in the antiferromagnetic state of CaFeAsF, a 1111 iron-arsenide parent compound, by performing quantum oscillation measurements and band-structure calculations. The determined Fermi surface consists of a symmetry-related pair of Dirac electron cylinders and a normal hole cylinder. From analyses of quantum-oscillation phases, we demonstrate that the electron cylinders carry a nontrivial Berry phase $π$. The carrier density is of the order of 10$^{-3}$ per Fe. This unusual metallic state with the extremely small carrier density is a consequence of the previously discussed topological feature of the band structure which prevents the antiferromagnetic gap from being a full gap. We also report a nearly linear-in-$B$ magnetoresistance and an anomalous resistivity increase above about 30 T for $B \parallel c$, the latter of which is likely related to the quantum limit of the electron orbit. Intriguingly, the electrical resistivity exhibits a nonmetallic temperature dependence in the paramagnetic tetragonal phase ($T >$ 118 K), which may suggest an incoherent state. Our study provides a detailed knowledge of the Fermi surface in the antiferromagnetic state of 1111 parent compounds and moreover opens up a new possibility to explore Dirac-fermion physics in those compounds.

cond-mat.supr-con↗

arXiv2017

Local nodal Cooper pairs in multiorbital systems

We show the emergence of a new class of superconductivity in multiorbital systems, focusing on non-Kramers f$^2$ states. The Cooper pairs in this class of superconductivity mainly consist of local pairs with the same symmetry as the local f$^2$ ground states. When the local ground state is an anisotropic representation, the superconducting gap has nodes on the Fermi surface. This nodal superconductivity is mediated by the strong onsite inter-orbital attractions as a consequence of negative-$U$ physics generalized to multiorbital systems. We show that this is indeed realized in a simple two-orbital model with antiferro Hund's coupling and enhanced inter-orbital interaction derived via a systematic local down folding. Finally, we briefly discuss superconductivity in Pr-1-2-20 compounds, UBe$_{13}$, and PrOs$_4$Sb$_{12}$ in view of the present mechanism.

cond-mat.supr-con↗

arXiv2017

Magnetic and superconducting properties of the heavy-fermion CeCoIn5 epitaxial film probed by nuclear quadrupole resonance

Since the progress in the fabrication techniques of thin-films of exotic materials such as strongly correlated heavy-fermion compounds, microscopic studies of the magnetic and electronic properties inside the films have been needed. Herein, we report the first observation of 115In nuclear quadrupole resonance (NQR) in an epitaxial film of the heavy-fermion superconductor CeCoIn5, for which the microscopic field gradient within the unit cell as well as magnetic and superconducting properties at zero field are evaluated. We find that the nuclear spin-lattice relaxation rate in the film is in excellent agreement with that of bulk crystals, whereas the NQR spectra show noticeable shifts and significant broadening indicating a change in the electric-field distribution inside the film. The analysis implies a displacement of In layers in the film, which however does not affect the magnetic fluctuations and superconducting pairing. This implies that inhomogeneity of the electronic field gradient in the film sample causes no pair breaking effect.

cond-mat.supr-con↗

arXiv2017

Charge/quadrupole fluctuations and gap anisotropy in BiS$_2$-based superconductors

Recent angle-resolved spectroscopy in BiS$_2$-based superconductors has indicated that the superconducting gap amplitude possesses remarkable anisotropy and/or a sign change on a small Fermi pocket around $X$ point. It implies a possibility of an unconventional pairing state. Here we study the gap anisotropy in superconductivity mediated by inherent charge/quadrupole fluctuations in an extended Hubbard model, which includes inter-site interaction between Bi and S atoms. The first-principles downfolded band structure is composed of Bi $6p_x/p_y$ and S $3p_x/p_y$ orbitals on a BiS$_2$ single layer. Evaluating the linearized gap equation, we find that the ferroic charge/quadrupole fluctuation driven by the inter-site interaction leads to a fully-gapped $d_{x^2-y^2}$-wave pairing state, in which the gap amplitude has sizable anisotropy on the Fermi surface.

cond-mat.supr-con↗

arXiv2016

Nodal gap detection through polar angle-resolved density of states measurements in uniaxial superconductors

We propose a spectroscopic method to identify the nodal gap structure in unconventional superconductors. This method best suits for locating the horizontal line node and for pinpointing the isolated point nodes by measuring polar angle ($θ$) resolved zero energy density of states $N(θ)$. This is measured by specific heat or thermal conductivity at low temperatures under a magnetic field. We examine a variety of uniaxially symmetric nodal structure, including point and/or line nodes with linear and quadratic dispersions, by solving Eilenberger equation in vortex states. It is found that (A) the maxima of $N(θ)$ continuously shift from the anti-nodal to the nodal direction ($θ_{\rm n}$) as a field increases accompanying the oscillation pattern reversal at low and high fields. Furthermore, (B) local minima emerge next to $θ_{\rm n}$ on both sides except for the case of linear point node. These features are robust and detectable experimentally. Experimental results of $N(θ)$ performed on several superconductors, UPd$_2$Al$_3$, URu$_2$Si$_2$, Cu$_x$Bi$_2$Se$_3$, and UPt$_3$, are examined and commented in light of the present theory.

cond-mat.supr-con↗

arXiv2016

Symmetry protected line nodes in non-symmorphic magnetic space groups: Applications to UCoGe and UPd$_2$Al$_3$

We present the group-thoretical classification of gap functions in superconductors coexisting with some magnetic order in non-symmorphic magnetic space groups. Based on the weak-coupling BCS theory, we show that UCoGe-type ferromagnetic superconductors must have horizontal line nodes on either $k_z=0$ or $\pmπ/c$ plane. Moreover, it is likely that additional Weyl point nodes exist at the axial point. On the other hand, in UPd$_2$Al$_3$-type antiferromagnetic superconductors, gap functions with $A_g$ symmetry possess horizontal line nodes in antiferromagnetic Brillouin zone boundary perpendicular to $c$-axis. In other words, the conventional fully-gapped $s$-wave superconductivity is forbidden in this type of antiferromagnetic superconductors, irrelevant to the pairing mechanism, as long as the Fermi surface crosses a zone boundary. UCoGe and UPd$_2$Al$_3$ are candidates for unconventional superconductors possessing hidden symmetry-protected line nodes, peculiar to non-symmorphic magnetic space groups.

cond-mat.supr-con↗

arXiv2016

Upper critical field and quantum oscillations in tetragonal superconducting FeS

The magnetoresistance and magnetic torque of FeS are measured in magnetic fields $B$ of up to 18 T down to a temperature of 0.03 K. The superconducting transition temperature is found to be $T_c$ = 4.1 K, and the anisotropy ratio of the upper critical field $B_{c2}$ at $T_c$ is estimated from the initial slopes to be $Γ(T_c)$ = 6.9. $B_{c2}(0)$ is estimated to be 2.2 and 0.36 T for $B \parallel ab$ and $c$, respectively. Quantum oscillations are observed in both the resistance and torque. Two frequencies $F$ = 0.15 and 0.20 kT are resolved and assigned to a quasi-two-dimensional Fermi surface cylinder. The carrier density and Sommerfeld coefficient associated with this cylinder are estimated to be 5.8 $\times$ 10$^{-3}$ carriers/Fe and 0.48 mJ/(K$^2$mol), respectively. Other Fermi surface pockets still remain to be found. Band-structure calculations are performed and compared to the experimental results.

cond-mat.supr-con↗

arXiv2016

Thermodynamic study of gap structure and pair-breaking effect by magnetic field in the heavy-fermion superconductor CeCu2Si2

This paper presents the results of specific-heat and magnetization measurements, in particular their field-orientation dependence, on the first discovered heavy-fermion superconductor CeCu$_2$Si$_2$ ($T_{\rm c} \sim 0.6$ K). We discuss the superconducting gap structure and the origin of the anomalous pair-breaking phenomena, leading e.g., to the suppression of the upper critical field $H_{\rm c2}$, found in the high-field region. The data show that the anomalous pair breaking becomes prominent below about 0.15 K in any field direction, but occurs closer to $H_{\rm c2}$ for $H \parallel c$. The presence of this anomaly is confirmed by the fact that the specific-heat and magnetization data satisfy standard thermodynamic relations. Concerning the gap structure, field-angle dependences of the low-temperature specific heat within the $ab$ and $ac$ planes do not show any evidence for gap nodes. From microscopic calculations in the framework of a two-band full-gap model, the power-law-like temperature dependences of $C$ and $1/T_1$, reminiscent of nodal superconductivity, have been reproduced reasonably. These facts further support multiband full-gap superconductivity in CeCu$_2$Si$_2$.

cond-mat.supr-con↗

arXiv2016

Classification of multipole superconductivity in multi-orbital systems and its implications

Motivated by a growing interest in multi-orbital superconductors with spin-orbit interactions, we perform the group-theoretical classification of various unconventional superconductivity emerging in symmorphic $\rm O$, $\rm D_4$, and $\rm D_6$ space groups. The generalized Cooper pairs, which we here call "multipole" superconductivity, possess spin-orbital coupled (multipole) degrees of freedom, instead of the conventional spin singlet/triplet in single-orbital systems. From the classification, we obtain the following key consequences, which have been overlooked in the long history of research in this field: (1) A superconducting gap function with $\varGamma_9\otimes\varGamma_9$ in $\rm D_6$ possesses nontrivial momentum dependence, different from the usual spin 1/2 classification. (2) Unconventional gap structure can be realized in the BCS approximation of purely local (on-site) interactions irrespective of attractive/repulsive. It implies the emergence of an electron-phonon (e-ph) driven unconventional superconductivity. (3) Reflecting symmetry of orbital basis functions, there appear not symmetry-protected but inevitable line nodes/gap minima, and thus, anisotropic $s$-wave superconductivity can be naturally explained without any competitive fluctuations.

cond-mat.supr-con↗

arXiv2016

Exotic multi-gap structure in UPt$_3$ unveiled by the first-priniciples analysis

A heavy-fermion superconductor UPt$_3$ is a unique spin-triplet superconductor with multiple superconducting phases. Here we provide the first report on the first-principles analysis of the microscopic superconducting gap structure. We find that the promising gap structure is an unprecedented $E_{2u}$ state, which is completely different from the previous phenomenological $E_{2u}$ models. Our obtained $E_{2u}$ state has in-plane twofold vertical line nodes on small Fermi surfaces and point nodes with linear dispersion on a large Fermi surface. These peculiar features cannot be explained in the conventional spin $1/2$ representation, but is described by the group-theoretical representation of the Cooper pairs in the total angular momentum $j=5/2$ space. Our findings shed new light on the long-standing problems in the superconductivity of UPt$_3$

cond-mat.supr-con↗

arXiv2016

Evidence for chiral d-wave superconductivity in URu2Si2 from the field-angle variation of its specific heat

Low-energy quasiparticle (QP) excitations in the heavy-fermion superconductor URu$_2$Si$_2$ were investigated by specific-heat $C(T, H, ϕ, θ)$ measurements of a high-quality single crystal. The occurrence of QP excitations due to the Doppler-shift effect was detected regardless of the field direction in $C(H)$ of the present clean sample, which is in sharp contrast to a previous report. Furthermore, the polar-angle-dependent $C(θ)$ measured under a rotating magnetic field within the ac plane exhibits a shoulder-like anomaly at $θ\sim 45$ deg and a sharp dip at $θ= 90$ deg ($H \parallel a$) in the moderate-field region. These features are supported by theoretical analyses based on microscopic calculations assuming the gap symmetry of $k_z(k_x+ik_y)$, whose gap structure is characterized by a combination of a horizontal line node at the equator and point nodes at the poles. The present results have settled the previous controversy over the gap structure of URu$_2$Si$_2$ and have authenticated its chiral $d$-wave superconductivity.

cond-mat.supr-con↗

arXiv2015

Ab initio downfolding study of the iron-based ladder superconductor BaFe$_2$S$_3$

Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around the Fermi level is represented only by the Fe 3$d_{xz}$ (mixed with 3$d_{xy}$) and 3$d_{x^2-y^2}$ orbitals. The characteristic band degeneracy allows us to construct a four-band model with the band unfolding approach. We also estimate the interaction parameters and show that the system is more correlated than the 1111 family of iron-based superconductors. Provided the superconductivity is mediated by spin fluctuations, the $3d_{xz}$-like band plays an essential role, and the gap function changes its sign between the Fermi surface around the $Γ$ point and that around the Brillouin-zone boundary.

cond-mat.supr-con↗

arXiv2015

First-principles study of magnetic properties in Fe-ladder compound BaFe2S3

We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the magnetic alignment in which the spins are coupled ferromagnetically along the rung and antiferromagnetically along the leg is the most stable in the possible magnetic structure within an Fe-ladder and is further stabilized with the periodicity char- acterized by the wave vector Q=(pi,pi,0), leading to the experimentally observed magnetic ground state. The magnetic exchange interaction between the Fe-ladders creates a tiny energy gap, whose size is in excellent agreement with the experiments. Applied pressure suppresses the energy gap and leads to an insulator-metal transition. Finally, we also discuss what type of orbitals can play crucial roles on the magnetic and insulator-metal transition.

cond-mat.str-el↗

arXiv2015

Emergent loop-nodal s$_\pm$-wave superconductivity in CeCu$_2$Si$_2$: similarities to the iron-based superconductors

Heavy-fermion superconductors are prime candidates for novel electron-pairing states due to the spin-orbital coupled degrees of freedom and electron correlations. Superconductivity in CeCu$_2$Si$_2$ discovered in 1979, which is a prototype of unconventional (non-BCS) superconductors in strongly correlated electron systems, still remains unsolved. Here we provide the first report of superconductivity based on the advanced first-principles theoretical approach. We find that the promising candidate is an $s_\pm$-wave state with loop-shaped nodes on the Fermi surface, different from the widely expected line-nodal $d$-wave state. The dominant pairing glue is magnetic but high-rank octupolar fluctuations. This system shares the importance of multi-orbital degrees of freedom with the iron-based superconductors. Our findings reveal not only the long-standing puzzle in this material, but also urge us to reconsider the pairing states and mechanisms in all heavy-fermion superconductors.

cond-mat.str-el↗

arXiv2015

Emergence of Orbital Nematicity in the Tetragonal Phase of BaFe$_2$(As$_{1-x}$P$_x$)$_2$

We report on $^{75}$As-NMR measurements in single crystalline BaFe$_{2}$(As$_{0.96}$P$_{0.04}$)$_{2}$ for magnetic fields parallel to the orthorhombic $[110]_{\rm o}$ and $[100]_{\rm o}$ directions above the structural transition temperature $T_{\rm S}\simeq121$ K. A large difference in the linewidth between the two field directions reveals in-plane anisotropy of the electric field gradient, even in the tetragonal phase. This provides microscopic evidence of population imbalance between As-$4p_{x}$ and $4p_{y}$ orbitals, which reaches $|n_x-n_y|/|n_x+n_y| \sim 15$\% at $T\rightarrow T_{\rm S}$ and is a natural consequence of the orbital ordering of Fe-3$d_{xz}$ and $d_{yz}$ electrons. Surprisingly, this orbital polarization is found to be already static near room temperature, suggesting that it arises from the pinning of anisotropic orbital fluctuations by disorder. The effect is found to be stronger below $\sim 160$ K, which coincides with the appearance of nematicity in previous torque and photoemission measurements. These results impose strong constraints on microscopic models of the nematic state.

cond-mat.str-el↗

arXiv2014

Anomalous Fermi surface in FeSe seen by Shubnikov-de Haas oscillation measurements

We have observed Shubnikov-de Haas oscillations in FeSe. The Fermi surface deviates significantly from predictions of band-structure calculations and most likely consists of one electron and one hole thin cylinder. The carrier density is in the order of 0.01 carriers/ Fe, an order-of-magnitude smaller than predicted. Effective Fermi energies as small as 3.6 meV are estimated. These findings call for elaborate theoretical investigations incorporating both electronic correlations and orbital ordering.

cond-mat.supr-con↗

arXiv2014

Multipole order and global/site symmetry in the hidden order phase of URu2Si2

On the basis of group theory and the first-principles calculations, we investigate high-rank multipole orderings in URu2Si2, which have been proposed as a genuine primary order parameter in the hidden order phase below 17.5K. We apply Shubnikov group theory to the multipole ordered states characterized by the wave vector Q = (0, 0, 1) and specify the global/site symmetry and the secondary order parameters, such as induced dipole moments and change in charge distribution. We find that such antiferroic magnetic multipole orderings have particularly advantageous to conceal the primary order parameter due to preserving high symmetry in charge distribution. Experimental observations of the inherent low-rank multipoles, which are explicitly classified in this paper, will be key pieces to understand the puzzling hidden order phase.

cond-mat.mtrl-sci↗