arXiv subjects

Hae-Young Kee

Publications and source records attributed to Hae-Young Kee.

At least 55 records · Page 3Linked to original sources

arXiv2022

Green's Function Approach to Interacting Higher-order Topological Insulators

The Bloch wave functions have been playing a crucial role in the diagnosis of topological phases in non-interacting systems. However, the Bloch waves are no longer applicable in the presence of finite Coulomb interaction and alternative approaches are needed to identify the topological indices. In this paper, we focus on three-dimensional higher-order topological insulators protected by $C_4T$ symmetry and show that the topological index can be computed through eigenstates of inverse Green's function at zero frequency. If there is an additional $S_4$ rotoinversion symmetry, the topological index $P_3$ can be determined by eigenvalues of $S_4$ at high symmetry momenta, similar to the Fu-Kane parity criterion. We verify this method using many-body exact diagonalization in higher-order topological insulators with interaction. We also discuss the realization of this higher-order topological phase in tetragonal lattice structure with $C_4T$-preserving magnetic order. Finally, we discuss the boundary conditions necessary for the hinge states to emerge and show that these hinge states exist even when the boundary is smooth and without a sharp hinge.

cond-mat.str-el↗

arXiv2022

Field Induced Chiral Soliton Phase in the Kitaev Spin Chain

The bond-dependent Ising interaction present in the Kitaev model has attracted considerable attention. The appearance of an unexpected intermediate phase under a magnetic field is particularly intriguing, and one may wonder if a similar phase occurs in the Kitaev spin chain with alternating $x$- and $y$-bond Ising interactions. Previous studies have focused on a transverse field, $h_z$, and reported a direct transition to the polarized state. Here, we investigate phases with arbitrary angle of two longitudinal fields, $h_x$ and $h_y$. For a magnetic field applied along the diagonal, $h_x$=$h_y$, the chain remains gapless up to a critical field $h^{c_1}_{xy}$. Surprisingly, above $h^{c1}_{xy}$ it enters an unusual intermediate phase before reaching the polarized state at $h^{c_2}_{xy}$. This phase is characterized by a staggered vector chirality and for periodic boundary conditions, a two-fold degeneracy with a finite gap. For open boundary systems the ground-state exhibits a single soliton, lowering the energy, and gapless excitations. However, the corresponding anti-soliton raises the energy sufficiently that a gap appears for soliton and anti-soliton pairs in periodic systems. An intuitive variational picture is developed describing the soliton phase.

cond-mat.str-el↗

arXiv2022

Determining Kitaev interaction in spin-$S$ honeycomb Mott insulators

The Kitaev interaction in a honeycomb lattice with higher-spin $S$ has been one of the central attractions, as it may offer quantum spin liquids. A microscopic theory showed that when the Hund's coupling at the transition metal generates $S> \frac{1}{2}$, the spin-orbit coupling at the heavy ligands provides a route to the Kitaev interaction. However, there have been debates over its strength compared to other symmetry-allowed interactions. Investigating the symmetry of the Hamiltonian for general $S$, we show the magnon energies at two momentum points related by a broken mirror symmetry reflect the Kitaev interaction when a magnetic field is in the mirror plane. Applying the symmetry analysis to CrI$_3$ with $S=\frac{3}{2}$ together with the available angle-dependent ferromagnetic resonance data, we estimate the Kitaev interaction out of the full Hamiltonian and find that it is sub-dominant. Our theory can be tested by inelastic neutron scattering on candidate materials under the proposed magnetic field direction, which will advance the search for general $S$ Kitaev materials.

cond-mat.str-el↗

arXiv2022

Theoretical analysis of single-ion anisotropy in $d^3$ Mott insulators

An effective spin model for Mott insulators is determined by the symmetries involved among magnetic sites, electron fillings, and their interactions. Such a spin Hamiltonian offers insight to mechanisms of magnetic orders and magnetic anisotropy beyond the Heisenberg model. For a spin moment S bigger than 1/2, single-ion anisotropy is in principle allowed. However, for $d^3$ Mott insulators with large cubic crystal field splitting, the single-ion anisotropy is absent within the LS coupling, despite S = 3/2 local moment. On the other hand, preferred magnetic moment directions in $d^3$ materials have been reported, which calls for a further theoretical investigation. Here we derive the single-ion anisotropy interaction using the strong-coupling perturbation theory. The cubic crystal field splitting including $e_g$ orbitals, trigonal distortions, Hund's coupling, and spin-orbit coupling beyond the LS scheme are taken into account. For compressed distortion, the spin-orbit coupling at magnetic sites can favor either the easy-axis or the easy-plane while that of anions leads to easy-axis anisotropy. We apply the theory on $\rm{CrX}_3$ with X = Cl and I, and show the dependence of the single-ion anisotropy on the strength of the spin-orbit couplings of both magnetic and anion sites. Significance of the single-ion anisotropy in ideal two-dimensional magnets is also discussed.

cond-mat.str-el↗

arXiv2022

Counter-rotating spiral, zigzag, and 120$^\circ$ orders from coupled-chain analysis of Kitaev-Gamma-Heisenberg model, and relations to honeycomb iridates

We study the nearest neighboring spin-1/2 Kitaev-Heisenberg-Gamma ($KJΓ$) model on the honeycomb lattice in the parameter region of ferromagnetic (FM) Kitaev and antiferromagnetic (AFM) Heisenberg couplings relevant for honeycomb iridates, using a coupled-chain analysis. Starting from the gapless Luttinger liquid phase of a decoupled $KJΓ$ chain, the inter-chain interactions in the two-dimensional model is treated within a self-consistent mean field approach based on the Luttinger liquid theory. In the FM Gamma region, our analysis recovers the reported 120$^\circ$ magnetic order, previously obtained by classical analysis and exact diagonalization method. On the other hand, new physics is revealed in the AFM Gamma region, where three magnetic orders are found, including 120$^\circ$, commensurate counter-rotating spiral, and zigzag orders. Interestingly, the two first order phase transition lines separating these three magnetic orders merge at a single point at $K = -2 Γ$ and $J=0$, which is predicted to be a quantum critical point. The current theory captures the experimentally observed counter-rotating spiral order in $α$-Li$_22$IrO$_3$ and the zigzag order in Na$_2$IrO$_3$, thereby indicating that the spin-1/2 $KJΓ$ model may serve as a minimal model for honeycomb iridates. Limitations of the mean field theory presented in this work and the $J \rightarrow 0$ regime are also discussed.

cond-mat.str-el↗

arXiv2022

Magnetic-field Induced Topological Transitions and Thermal Conductivity in a Generalized Kitaev Model

Recent experiments on Kitaev spin liquid candidate materials reported non-monotonic behavior of thermal conductivity as a function of magnetic field, which lead to conflicting interpretations of its origin. Motivated by this development, we study the magnetic field dependence of thermal conductivity of a generalized Kitaev model, which allows the phase transitions between different flux sectors as a function of the magnetic field. The thermal conductivity due to Majorana fermions shows dip-bump structures as the magnetic field increases, which is caused by either the transitions between different flux sectors of Kitaev spin liquids or the topological transitions that change the Majorana Chern number within the same flux sector. It is shown that the change of Chern number is closely related to the four-Majorana-fermion interaction induced by the magnetic field. The non-monotonic behavior in thermal conductivity emerges at finite temperature, and it becomes weaker when temperature decreases towards zero. Our model provides a generic mechanism for the Kitaev spin liquids to develop non-monotonic magnetic-field dependence of thermal conductivity while the detailed comparison to realistic materials remains an open question for future investigation.

cond-mat.str-el↗

arXiv2022

Interplay of magnetic field and trigonal distortion in the honeycomb $Γ$ model: Occurrence of a spin-flop phase

In candidate Kitaev materials, the off-diagonal $Γ$ and $Γ'$ interactions are identified to come from the spin-orbit coupling and trigonal distortion, respectively. They have generated intense research efforts because of their intimate relation to the field-induced magnetically disordered state reported in $α$-RuCl$_3$. Theoretically, while a plethora of field-induced phases has been proposed in the honeycomb lattice, a stable intermediate phase that can survive in a wide parameter region regardless of the underlying phases is still lacking. Here we focus on the interplay of an out-of-plane magnetic field and a symmetry-allowed $Γ'$ term due to trigonal distortion in the dominant antiferromagnetic $Γ$ region. By using multifaceted approaches ranging from classical Monte Carlo and semiclassical spin-wave theory to density-matrix renormalization group, we identify an intriguing spin-flop phase in the presence of magnetic field and antiferromagnetic $Γ'$ interaction, before it eventually enters into a fully polarized state. As the $Γ'$ interaction approaches the size of $Γ$ one, the $Γ$-$Γ'$ model maps to the easy-axis XXZ antiferromagnet, where the spin-flop phase can be understood as a superfluid phase in the extended Bose-Hubbard model. Our finding thus demonstrates an exciting path from the honeycomb $Γ$ model towards a $U(1)$-symmetric XXZ antiferromagnet in a magnetic field.

cond-mat.str-el↗

arXiv2022

Strategy to Extract Kitaev Interaction using Symmetry in Honeycomb Mott Insulators

The Kitaev spin liquid, a ground state of the bond-dependent Kitaev model in a honeycomb lattice has been a centre of attraction, since a microscopic theory to realize such an interaction in solid-state materials was discovered. A challenge in real materials though is the presence of the Heisenberg and another bond-dependent Gamma interactions detrimental to the Kitaev spin liquid, and there have been many debates on their relative strengths. Here we offer a strategy to extract the Kitaev interaction out of a full microscopic model by utilizing the symmetries of the Hamiltonian. Two tilted magnetic field directions related by a two-fold rotational symmetry generate distinct spin excitations originating from a specific combination of the Kitaev and Gamma interactions. Together with the in- and out-of-plane magnetic anisotropy, one can determine the Kitaev and Gamma interactions separately. Dynamic spin structure factors are presented to motivate future experiments. The proposed setups will advance the search for Kitaev materials.

cond-mat.str-el↗

arXiv2022

Evolution of Interorbital Superconductor to Intraorbital Spin-Density Wave in Layered Ruthenates

The ruthenate family of layered perovskites has been a topic of intense interest with much work dedicated to understanding the superconducting state of the single layer, Sr$_2$RuO$_4$. Another longstanding puzzle is the lack of superconductivity in its sister compound, Sr$_3$Ru$_2$O$_7$, which constrains the possible superconducting mechanisms of Sr$_2$RuO$_4$. Here we address a microscopic mechanism that unifies superconducting and spin-density wave order in this family of materials. Beginning from a model of Sr$_2$RuO$_4$ featuring intraband pseudospin-singlet superconductivity originating from interorbital spin-triplet pairing via Hund's and spin-orbit couplings, the addition of bilayer coupling and staggered rotations of the oxygen octahedra are investigated. We find that the bilayer coupling alone enhances superconductivity, while staggered rotations destroy interorbital superconductivity, leaving a paramagnetic metal. The magnetic field then shifts van Hove singularities near the Fermi level, allowing intraorbital SDW order to form in the bilayer. Our theory predicts that bilayer Sr$_3$Ru$_2$O$_7$ without staggered rotations exhibits interorbital superconductivity with a possibly higher transition temperature.

cond-mat.supr-con↗

arXiv2022

Competing multipolar orders in a face-centered cubic lattice: Application to the osmium double perovskites

In 5$d^2$ Mott insulators with strong spin-orbit coupling, the lowest pseudospin states form a non-Kramers doublet, which carries quadrupolar and octupolar moments. A family of double perovskites where magnetic ions form a face-centered cubic (fcc) lattice was suggested to unveil an octupolar order offering a rare example in $d$-orbital systems. The proposed order requires a ferromagnetic (FM) octupolar interaction, since the antiferromagnetic (AFM) Ising model is highly frustrated on the fcc lattice. A microscopic model was recently derived for various lattices: for an edge-sharing octahedra geometry, AFM Ising octupolar and bond-dependent quadrupolar interactions were found when only dominant inter- and intraorbital hopping integrals were taken into account. Here we investigate all possible intra- and interorbital exchange processes and report that interference of two intraorbital exchanges generates a FM octupolar interaction. Applying the strong-coupling expansion results together with tight-binding parameters obtained by density functional theory, we estimate the exchange interactions for the osmium double perovskites, Ba$_2$BOsO$_6$ (B=Mg,Cd, and Ca). Using classical Monte Carlo simulations, we find that these systems are close to the phase boundary between AFM type-I quadrupole and FM octupole orders. We also find that exchange processes beyond second-order perturbation theory including virtual processes via pseudospin-triplet states may stabilize an octupolar order.

cond-mat.str-el↗

arXiv2022

Spontaneous Chiral-Spin Ordering in Spin-Orbit Coupled Honeycomb Magnets

Frustrated magnets with highly degenerate ground states are at the heart of hunting exotic states of matter. Recent studies in spin-orbit coupled honeycomb magnets have generated immense interest in bond-dependent interactions, appreciating a symmetric off-diagonal $Γ$ interaction which exhibits a macroscopic degeneracy in the classical limit. Here, we study a generic spin model and discover a novel chiral-spin ordering with spontaneously broken time-reversal symmetry near the dominant $Γ$ region. The chiral-spin phase is demonstrated to possess a staggered chirality relation in different sublattices, and it exhibits gapless excitations as revealed by the vanishing energy gap and the finite central charge on cylinders. Although there is a vestige of a tiny peak in the corner of the second Brillouin zone, the magnetic order is likely to vanish as the system size increases. Finally, we also attempt to gain insight into the possible topological signature of the chiral-spin phase by calculating the dynamic structure factor and the modular $\mathcal{S}$ matrix.

cond-mat.str-el↗

arXiv2021

Insights into the Anisotropic Spin-$S$ Kitaev Chain

Recently there has been a renewed interest in properties of the higher-spin Kitaev models, especially their low-dimensional analogues with additional interactions. These quasi-1D systems exhibit rich phase diagrams with symmetry-protected topological phases, Luttinger liquids, hidden order, and higher-rank magnetism. However, the nature of the pure spin-$S$ Kitaev chains are not yet fully understood. Earlier works found a unique ground state with short-ranged correlations for $S = 1$, and an intriguing double-peak structure in the heat capacity associated with an entropy plateau. To understand the low-energy excitations and thermodynamics for general $S$ we study the anisotropic spin-$S$ Kitaev chain. Starting from the dimerized limit we derive an effective low-energy Hamiltonian at finite anisotropy. For half-integer spins we find a trivial effective model, reflecting a non-local symmetry protecting the degeneracy, while for integer $S$ we find interactions among the flux degrees of freedom that select a unique ground state. The effective model for integer spins is used to predict the low-energy excitations and thermodynamics, and we make a comparison with the semiclassical limit through linear spin wave theory. Finally, we speculate on the nature of the isotropic limit.

cond-mat.str-el↗

arXiv2021

Possible Realization of Optical Quadratic and Dirac Points in Woodpile Photonic Crystals

The simulation of fermionic relativistic physics, e.g., Dirac and Weyl physics, has led to the discovery of many unprecedented phenomena in photonics, of which the optical-frequency realization is, however, still challenging. Here, surprisingly, we discover that the woodpile photonic crystals commonly used for optical frequency applications host exotic fermion-like relativistic degeneracies: a Dirac nodal line and a fourfold quadratic point, as protected by the nonsymmorphic crystalline symmetry. Deforming the woodpile photonic crystal leads to the emergence of type-II Dirac points from the fourfold quadratic point. Such type-II Dirac points can be detected by its anomalous refraction property which is manifested as a giant birefringence in a slab setup. Our findings provide a promising route towards 3D optical Dirac physics in all-dielectric photonic crystals.

physics.optics↗

arXiv2021

Extent of frustration in the classical Kitaev-$Γ$ model via bond anisotropy

In the pseudospin-$\frac{1}{2}$ honeycomb Mott insulators with strong spin-orbit coupling, there are two types of bond-dependent exchange interactions, named Kitaev ($K$) and $Γ$, leading to strong frustration. While the ground state of the Kitaev model is a quantum spin liquid with fractionalized excitations, the ground state of the $Γ$ model remains controversial. In particular, the phase diagram of the $KΓ$ model with ferromagnetic $K$ and antiferromagnetic $Γ$ interactions has been intensively studied because of its relevance to candidate materials such as $α$-RuCl$_{3}$. Numerical studies also included the effects of tuning the bond strengths, i.e., $z$-bond strength different from the other bonds. However, no clear consensus on the overall phase diagram has been reached yet. Here we study the classical $KΓ$ model with the anisotropic bond strength using Monte Carlo simulations to understand the emerging phases out of competition between the two frustrated limits. We also address how the anisotropic bond strength affects the phase diagram and strength of quantum fluctuations. We found various large unit cell phases due to the competing frustrations, and analyzed their intrinsic degeneracy based on the symmetry of the Hamiltonian. Using the linear spin wave theory we showed that the anisotropic bond strength enhances quantum fluctuations in the $Γ$-dominant regime where a small reduced moment is observed. The implications of our findings in relation to the quantum model are also discussed.

cond-mat.str-el↗

arXiv2021

Higher angular momentum pairings in interorbital shadowed-triplet superconductors: Application to Sr$_{2}$RuO$_{4}$

Even-parity interorbital spin-triplet pairing emerges as an intriguing candidate in multiorbital superconductors with significant Hund's and spin-orbit coupling. Within such a state, the pairing is dominated by the intraband pseudospin-singlet component via the spin-orbit coupling, distinguishing it from a pure spin triplet and motivating the name, shadowed triplet. With atomic spin-orbit coupling, it was shown that this pairing exhibits an anisotropic $s$-wave character, while higher angular momentum pairing symmetries such as $d$- or $g$-wave have been proposed based on phenomenological analyses in candidate systems. A natural question is then whether higher angular momentum pairings may arise with this form of spin-triplet pairing. Here, we examine the interplay between spin-orbit coupling and the electronic dispersions in correlated metals and demonstrate how they can be realized. We apply this idea to Sr$_{2}$RuO$_{4}$ and determine the competition among different pairing states as multiple spin-orbit coupling parameters are tuned. The presence of both $d$- and $g$-wave pairings, including a $d+ig$ state, are found when momentum-dependent spin-orbit coupling with $d$-wave character is increased. Implications of the theory and future directions are also discussed.

cond-mat.supr-con↗

arXiv2021

Unveiling the phase diagram of a bond-alternating spin-$\frac12$ $K$-$Γ$ chain

The key to unraveling intriguing phenomena observed in various Kitaev materials lies in understanding the interplay of Kitaev ($K$) interaction and a symmetric off-diagonal $Γ$ interaction. To provide insight into the challenging problems, we study the quantum phase diagram of a bond-alternating spin-$1/2$ $g_x$-$g_y$ $K$-$Γ$ chain by density-matrix renormalization group method where $g_x$ and $g_y$ are the bond strengths of the odd and even bonds, respectively. The phase diagram is dominated by even-Haldane ($g_x > g_y$) and odd-Haldane ($g_x < g_y$) phases where the former is topologically trivial while the latter is a symmetry-protected topological phase. Near the antiferromagnetic Kitaev limit, there are two gapped $A_x$ and $A_y$ phases characterized by distinct nonlocal string correlators. In contrast, the isotropic ferromagnetic (FM) Kitaev point serves as a multicritical point where two topological phase transitions meet. The remaining part of the phase diagram contains three symmetry-breaking magnetic phases. One is a six-fold degenerate FM$_{U_6}$ phase where all the spins are parallel to one of the $\pm \hat{x}$, $\pm \hat{y}$, and $\pm \hat{z}$ axes in a six-site spin rotated basis, while the other two have more complex spin structures with all the three spin components being finite. Existence of a rank-2 spin-nematic ordering in the latter is also discussed.

cond-mat.str-el↗

arXiv2021

Unusual excitations and double-peak specific heat in a bond-alternating spin-$1$ $K$-$Γ$ chain

One-dimensional gapped phases that avoid any symmetry breaking have drawn enduring attention. In this paper, we study such phases in a bond-alternating spin-1 $K$-$Γ$ chain built of a Kitaev ($K$) interaction and an off-diagonal $Γ$ term. In the case of isotropic bond strength, a Haldane phase, which resembles the ground state of a spin-$1$ Heisenberg chain, is identified in a wide region. A gapped Kitaev phase situated at dominant ferromagnetic and antiferromagnetic Kitaev limits is also found. The Kitaev phase has extremely short-range spin correlations and is characterized by finite $\mathbb{Z}_2$-valued quantities on bonds. Its lowest entanglement spectrum is unique, in contrast to the Haldane phase whose entanglement spectrum is doubly degenerate. In addition, the Kitaev phase shows a double-peak structure in the specific heat at two different temperatures. In the pure Kitaev limit, the two peaks are representative of the development of short-range spin correlation at $T_h \simeq 0.5680$ and the freezing of $\mathbb{Z}_2$ quantities at $T_l \simeq 0.0562$, respectively. By considering bond anisotropy, regions of Haldane phase and Kitaev phase are enlarged, accompanied by the emergence of dimerized phases and three distinct magnetically ordered states.

cond-mat.str-el↗

arXiv2021

Exchange interactions, Jahn-Teller coupling, and multipole orders in pseudospin one-half $5\boldsymbol{d}^\mathbf{2}$ Mott insulators

We develop a microscopic theory of multipole interactions and orderings in 5$d^2$ transition metal ion compounds. In a cubic environment, the ground state of 5$d^2$ ions is a non-Kramers $E_g$ doublet, which is nonmagnetic but hosts quadrupole and octupole moments. We derive pseudospin one-half Hamiltonians describing various spin-orbital exchange processes between these ions. Direct overlap of the $t_{2g}$ orbitals results in bond-dependent pseudospin interactions similar to those for $e_g$ orbitals in manganites. The superexchange process via oxygen ions generates new types of pairwise interactions. In perovskites with 180$^\circ$ bonding, we find nearly equal mixture of Heisenberg and $e_g$ orbital compass couplings. The 90$^\circ$ superexchange in compounds with edge-shared octahedra is most unusual: despite highly anisotropic shapes of the $E_g$ wavefunctions, the pseudospin interactions have no bond dependence and show instead a hidden SU(2) symmetry, which equally supports quadrupole and octupole orders. We consider the $E_g$ pseudospin models on various lattices and obtain their ground state properties using analytical, classical Monte Carlo, and exact diagonalization methods. On the honeycomb lattice, we observe a duality with the extended Kitaev model, and uncover a critical point where the quadrupole and octupole states are exactly degenerate. On the triangular lattice, an exotic pseudospin state, corresponding to the coherent superposition of vortex-type quadrupole and ferri-type octupole orders, is realized due to geometrical frustration. We also consider Jahn-Teller coupling effects and lattice mediated interactions between $E_g$ pseudospins. Possible implications of the results for recent experiments on double perovskite osmates are discussed, including effects of local distortions on the pseudospin wavefunctions and interactions.

cond-mat.str-el↗