Search

We study the homotopy classification of symmetry representations to describe the bulk topological invariants protected by the combined operation of a twofold rotation ${C}_{2z}$ and time-reversal $T$ symmetries. We define topological invariants as obstructions to having smooth Bloch wave functions compatible with a momentum-independent symmetry representation. When the Bloch wave functions are required to be smooth, the information on the band topology is contained in the symmetry representation. This implies that the $d$-dimensional homotopy class of the unitary matrix representation of the symmetry operator corresponds to the $d$-dimensional topological invariants. Here, we prove that the second Stiefel-Whitney number, a two-dimensional (2D) topological invariant protected by ${C}_{2z}T$, is the homotopy invariant that characterizes the second homotopy class of the matrix representation of ${C}_{2z}T$. As an application of our result, we show that the three-dimensional (3D) bulk topological invariant for the ${C}_{2z}T$-protected topological crystalline insulator proposed by C. Fang and L. Fu in Phys. Rev. B 91, 161105 (2015), which we call the 3D strong Stiefel-Whitney insulator, is identical to the quantized magnetoelectric polarizability. The bulk-boundary correspondence associated with the quantized magnetoelectric polarizability shows that the 3D strong Stiefel-Whitney insulator has chiral hinge states as well as 2D massless surface Dirac fermions. This shows that the 3D strong Stiefel-Whitney insulator has the characteristics of both the first- and the second-order topological insulators, simultaneously, which is in consistence with the recent classification of higher-order topological insulators protected by an order-two symmetry.

Based on first-principles calculations and symmetry analysis, we propose that a transition-metal rutile oxide, in particular ${\ensuremath{\beta}}^{\ensuremath{'}}\text{\ensuremath{-}}{\mathrm{PtO}}_{2}$, can host a three-dimensional topological Dirac semimetal phase. We find that ${\ensuremath{\beta}}^{\ensuremath{'}}\text{\ensuremath{-}}{\mathrm{PtO}}_{2}$ possesses an inner nodal chain structure when spin-orbit coupling is neglected. Incorporating spin-orbit coupling gaps the nodal chain while preserving a single pair of three-dimensional Dirac points protected by a screw rotation symmetry. These Dirac points are created by a band inversion of two $d$ bands, which is a realization of a Dirac semimetal phase in a correlated electron system. Moreover, a mirror plane in the momentum space carries a nontrivial mirror Chern number ${n}_{M}=\ensuremath{-}2$, which distinguishes ${\ensuremath{\beta}}^{\ensuremath{'}}\text{\ensuremath{-}}{\mathrm{PtO}}_{2}$ from the Dirac semimetals known so far, such as ${\mathrm{Na}}_{3}\mathrm{Bi}$ and ${\mathrm{Cd}}_{3}{\mathrm{As}}_{2}$. If we apply a perturbation that breaks the rotation symmetry and preserves the mirror symmetry, the Dirac points are gapped, and the system becomes a topological crystalline insulator.

We show that flat bands can be categorized into two distinct classes, that is, singular and nonsingular flat bands, by exploiting the singular behavior of their Bloch wave functions in momentum space. In the case of a singular flat band, its Bloch wave function possesses immovable discontinuities generated by the band-crossing with other bands, and thus the vector bundle associated with the flat band cannot be defined. This singularity precludes the compact localized states from forming a complete set spanning the flat band. Once the degeneracy at the band crossing point is lifted, the singular flat band becomes dispersive and can acquire a finite Chern number in general, suggesting a new route for obtaining a nearly flat Chern band. On the other hand, the Bloch wave function of a nonsingular flat band has no singularity, and thus forms a vector bundle. A nonsingular flat band can be completely isolated from other bands while preserving the perfect flatness. All one-dimensional flat bands belong to the nonsingular class. We show that a singular flat band displays a novel bulk-boundary correspondence such that the presence of the robust boundary mode is guaranteed by the singularity of the Bloch wave function. Moreover, we develop a general scheme to construct a flat band model Hamiltonian in which one can freely design its singular or nonsingular nature. Finally, we propose a general formula for the compact localized state spanning the flat band, which can be easily implemented in numerics and offer a basis set useful in analyzing correlation effects in flat bands., 23 pages, 13 figures

$1H$-phase monolayer transition-metal dichalcogenides have spin-split electronic band structures near the $K({K}^{\ensuremath{'}})$ point due to strong spin-orbit coupling and intrinsic inversion symmetry breaking. In the case of the monolayer ${\mathrm{Mo}X}_{2}$ ($X=\text{S}$, Se, Te), the spin-split conduction bands cross near the $K({K}^{\ensuremath{'}})$ point. We show that the band crossing occurs not only along the high-symmetry directions, but also along arbitrary directions due to a mirror reflection symmetry of the monolayer. As a result, $n$-doped monolayer ${\mathrm{Mo}X}_{2}$ is a two-dimensional type-II nodal-line material.

Motivated by the recent experimental observation of anomalous magneto-transport properties near the Mott quantum critical point (QCP) of pyrochlore iridates, we study the generic topological band structure near QCP in the presence of magnetic field. We have found that the competition between different energy scales can generate various topological semi-metal phases near QCP. Here the central role is played by the presence of a quadratic band crossing (QBC) with four-fold degeneracy in the paramagnetic band structure. Due to the large band degeneracy and strong spin-orbit coupling, the degenerate states at QBC can show an anisotropic Zeeman effect as well as the conventional isotropic Zeeman effect. Through the competition between three different magnetic energy scales including the exchange energy between Ir electrons and two Zeeman energies, various topological semimetals can be generated near QCP. Moreover, we have shown that these three magnetic energy scales can be controlled by modulating the magnetic multipole moment (MMM) of the cluster of spins in a unit cell, which can couple to the intrinsic MMM of the degenerate states at QBC. We propose the general topological band structure under magnetic field achievable near QCP, which would facilitate the experimental discovery of novel topological semimetal states in pyrochlore iridates., 22 pages, 18 figures

Ferroic domain walls (DWs) create different symmetries and ordered states compared with those in single-domain bulk materials. In particular, the DWs of an antiferromagnet with noncoplanar spin structure have a distinct symmetry that cannot be realized in those of their ferromagnet counterparts. In this paper, we show that an unconventional anomalous Hall effect (AHE) can arise from the DWs of a noncoplanar antiferromagnet, $\mathrm{N}{\mathrm{d}}_{2}\mathrm{I}{\mathrm{r}}_{2}{\mathrm{O}}_{7}$. Bulk $\mathrm{N}{\mathrm{d}}_{2}\mathrm{I}{\mathrm{r}}_{2}{\mathrm{O}}_{7}$ has a cubic symmetry; thus, its Hall signal should be zero without an applied magnetic field. The DWs generated in this material break the twofold rotational symmetry, which allows for finite anomalous Hall conductivity. A strong $f\text{\ensuremath{-}}d$ exchange interaction between the Nd and Ir magnetic moments significantly influences antiferromagnetic (AFM) domain switching. Our epitaxial $\mathrm{N}{\mathrm{d}}_{2}\mathrm{I}{\mathrm{r}}_{2}{\mathrm{O}}_{7}$ thin film showed a large enhancement of the AHE signal when the AFM domains switched, indicating that the AHE is mainly due to DWs. Our paper highlights the symmetry-broken interface of AFM materials as a means of exploring topological effects and their relevant applications.

Motivated by recent experiments on ${\text{Ba}}_{3}{\text{Cr}}_{2}{\text{O}}_{8}$, a new spin-dimer compound with spin-1/2 moments of ${\text{Cr}}^{5+}$ ions, we theoretically investigate the field-induced magnetic ordering in this material in view of the Bose-Einstein condensation (BEC) of triplet excitations (triplons). We apply the self-consistent Hartree-Fock-Popov (HFP) approach to a microscopic Hamiltonian, using the realistic triplon dispersion measured in an inelastic neutron-scattering experiment. In particular, we ask to what extent the BEC of dilute triplons near the critical field can explain the magnetic ordering in this material. For example, we investigate the temperature range where the BEC picture of triplons can be applied via the HFP approach. We also determine the temperature regime where a quadratic approximation of the triplon dispersion works. It is found that the strength of the effective repulsive interaction between triplons is much weaker in ${\text{Ba}}_{3}{\text{Cr}}_{2}{\text{O}}_{8}$ than in the canonical spin-dimer compound ${\text{TlCuCl}}_{3}$. Small effective repulsive interaction in combination with the narrow band of triplons leads to higher density of triplons ${n}_{\text{cr}}$ at the critical point. The combined effect points to a bigger HFP correction $U{n}_{\text{cr}}$ in ${\text{Ba}}_{3}{\text{Cr}}_{2}{\text{O}}_{8}$ than in ${\text{TlCuCl}}_{3}$. Nonetheless, the HFP approach provides a reasonable explanation of the transverse magnetization and the specific-heat data of ${\text{Ba}}_{3}{\text{Cr}}_{2}{\text{O}}_{8}$.

Motivated by a recent experiment on ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$, where spin-1/2 ${\text{Cu}}^{2+}$ moments reside on the layers of kagome-like lattices, we investigate quantum ground states of the antiferromagnetic Heisenberg model on a series of deformed kagome lattices. The deformation is characterized by a weaker exchange coupling $\ensuremath{\alpha}J$ on certain lattice links appropriate for ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$ with $\ensuremath{\alpha}=1$ corresponding to the ideal kagome lattice. In particular, we study possible valence bond solid phases using the perturbation theory around isolated dimer limits, dimer series expansion, and self-consistent bond operator mean-field theory. It is shown that the valence bond solid phase with a 36-site unit cell of the ideal kagome lattice is quite sensitive to a small lattice distortion as the kind discovered in ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$. As a result, we find that a more likely quantum ground state in ${\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}$ is the valence bond solid phase with a 12-site unit cell, where six dimers form a pinwheel structure, leading to strong modification of the elementary triplet and singlet excitation spectra in the deformed kagome lattices.