For conventional topological phases, the boundary gapless modes are determined by bulk topological invariants. Based on developing an analytic method to solve higher-order boundary modes, we present $PT$-invariant $2$D topological insulators and $3$D topological semimetals that go beyond this bulk-boundary correspondence framework. With unchanged bulk topological invariant, their first-order boundaries undergo transitions separating different phases with second-order-boundary zero-modes. For the $2$D topological insulator, the helical edge modes appear at the transition point for two second-order topological insulator phases with diagonal and off-diagonal corner zero-modes, respectively. Accordingly, for the $3$D topological semimetal, the criticality corresponds to surface helical Fermi arcs of a Dirac semimetal phase. Interestingly, we find that the $3$D system generically belongs to a novel second-order nodal-line semimetal phase, possessing gapped surfaces but a pair of diagonal or off-diagonal hinge Fermi arcs.
We study a general phase transition between spinless topological nodal-line semimetal and Weyl semimetal phases. We classify topological nodal lines into two types based on their positions and shapes, and their phase transitions depends on their types. We show that the topological nodal-line semimetal becomes the Weyl semimetal by breaking time-reversal symmetry when the nodal lines enclose time-reversal invariant momenta (type-A nodal lines). We also discuss an effect of crystallographic symmetries determining the band structure of the topological nodal-line semimetals. Thanks to protection b…
We theoretically study the electric polarization in magnetic topological nodal semimetal thin films. In magnetically doped topological insulators, topological nodal semimetal phases emerge once the exchange coupling overcomes the band gap. Changing the magnetization direction, nodal structure is modulated and the system becomes topological nodal point or line semimetals. We find that nodal line semimetals are characterized by non-linear electric polarization, which is not observed in nodal point semimetals. The non-linear response originates from the existence of the surface states. Screening …
Hosting unique drumhead surface states enclosed by nodal lines, topological nodal-line semimetals exhibit novel transport phenomena. Thus, the exploration of topological semimetals with different nodal-line structures has attracted much attention. In this paper, we first find a second-order nodal line semimetal (SONLS), which has coexisting hinge Fermi arcs and drumhead surface states, in a $\mathcal{PT}$-symmetry broken system. Then, without changing the intrinsic parameters, we artificially create exotic hybrid-order nodal-line semimetals hosted by different quasienergy gaps and rich nodal-l…
We study a topological phase diagram of a ferromagnetic topological nodal semimetal. We consider a lattice model for three-dimensional topological insulators with ferromagnetic ordering. The exchange coupling between the magnetization and the electron spin leads to the nodal band structure. The topology of the nodal band structure depends on the direction of the magnetization and both the Weyl points and the nodal line emerge. We find that the nodal line structure is stable under an easy-plane magnetization in appropriate model parameters. In this case, the nodal line phase emerges as a phase …
A nodal-line semimetal is a topological gapless phase containing one-dimensional degeneracies called nodal lines. The nodal lines are deformed by a continuous change of the system such as pressure and they can even change their topology, but it is not systematically understood what kind of changes of topology of nodal lines are possible. In this paper, we classify the events of topology change of nodal lines by the Morse theory and reveal that only three types of topology changes of nodal lines, i.e., creation, reconnection, and annihilation, are possible in the spinless nodal-line semimetal p…
We theoretically show that IV-VI semiconducting compounds with low-temperature rhombohedral crystal structure represent a new potential platform for topological semimetals. By means of minimal $\mathbf{k}\cdot\mathbf{p}$ models we find that the two-step structural symmetry reduction of the high-temperature rocksalt crystal structure, comprising a rhombohedral distortion along the [111] direction followed by a relative shift of the cation and anion sublattices, gives rise to topologically protected Weyl semimetal and nodal line semimetal phases. We derive general expressions for the nodal featu…
Topological semimetals is a new class of condensed matter systems with nontrivial electronic structure topology. Their unusual observable properties may often be understood in terms of quantum anomalies. In particular, Weyl and Dirac semimetals, which have point band touching nodes, are characterized by the chiral anomaly, which leads to the Fermi arc surface states, anomalous Hall effect, negative longitudinal magnetoresistance and planar Hall effect. In this paper we explore analogous phenomena in nodal line semimetals. We demonstrate that such semimetals realize a three dimensional analog o…
Nodal-line semimetals with magnetic orders have been theoretically predicted and experimentally observed in only few compounds. We theoretically explore the electronic structure in bulk and boundary of such a magnetic nodal-line state by introducing magnetism in topological Dirac semimetal (TDSM). TDSMs, such as $\mathrm{Cd_3 As_2}$ and $\mathrm{Na_3 Bi}$, are characterized by a pair of spin-degenerate Dirac points protected by rotational symmetries of crystals. By introducing local magnetic moments coupled to the electron spins in the lattice model of TDSM, we show that the TDSM can turn into…
We theoretically study three-dimensional topological semimetals (TSMs) with nodal lines protected by crystalline symmetries. Compared with TSMs with point nodes, e.g., Weyl semimetals and Dirac semimetals, where the conduction and the valence bands touch at discrete points, in these new TSMs the two bands cross at closed lines in the Brillouin zone. We propose two new classes of symmetry protected nodal lines in the absence and in the presence of spin-orbital coupling (SOC), respectively. In the former, we discuss nodal lines that are protected by the combination of inversion symmetry and time…
In this work, we investigate collective modes in a nodal line semimetal with two nodal-lines that have opposite spin polarization in the presence of spin population imbalance. We find the components of polarization operator taking into account the electron-electron exchange interaction and obtain the dispersion relations of collective modes for the bulk and surface states. There exist four modes in the bulk, among which one is gapless and other three are gapped. The gapless surface mode is sensitive to the boundary conditions.
We study the transport properties in nodal line semimetals with short-ranged impurity potentials at zero temperature. By computing the Drude conductivity and the corrections from the interference of particle and hole trajectories, we find that the electrons are localized in directions both parallel and perpendicular to the plane of nodal ring. We further calculate the conductivity in a weak magnetic field, and find that the perpendicular magnetic field totally destroys the weak localization gives a positive quantum interference correction, which is similar to the result in Weyl semimetals. But…
Honeycomb structure has a natural extension to the three dimensions. Simple examples are hyperhoneycomb and stripy-honeycomb lattices, which are realized in $β$-Li$_{2}$IrO$_{3}$ and $γ$-Li$_{2}$IrO$_{3}$, respectively. We propose a wide class of three-dimensional (3D) honeycomb lattices which are loop-nodal semimetals. Their edge states have intriguing properties similar to the two-dimensional honeycomb lattice in spite of dimensional difference. Partial flat bands emerge at the zigzag or beard edge of the 3D honeycomb lattice, whose boundary is given by the Fermi loop in the bulk spectrum. A…
We review the recent, mainly theoretical, progress in the study of topological nodal line semimetals in three dimensions. In these semimetals, the conduction and the valence bands cross each other along a one-dimensional curve in the three-dimensional Brillouin zone, and any perturbation that preserves a certain symmetry group (generated by either spatial symmetries or time-reversal symmetry) cannot remove this crossing line and open a full direct gap between the two bands. The nodal line(s) is hence topologically protected by the symmetry group, and can be associated with a topological invari…
We study an atomic chain in the presence of modulated charge potential and modulated Rashba spin-orbit coupling (RSOC) of equal period. We show that for commensurate periodicities $λ=4 n$ with integer $n$, the three-dimensional synthetic space obtained by sliding the two phases of the charge potential and RSOC features a topological nodal line semimetal protected by an antiunitary particle-hole symmetry. The location and shape of the nodal lines strongly depend on the relative amplitude between the charge potential and RSOC.
We study the frequency-dependent conductivity of nodal line semimetals (NLSMs), focusing on the effects of carrier density and energy dispersion on the nodal line. We find that the low-frequency conductivity has a rich spectral structure which can be understood using scaling rules derived from the geometry of their Dupin cyclide Fermi surfaces. We identify different frequency regimes, find scaling rules for the optical conductivity in each, and demonstrate them with numerical calculations of the inter- and intraband contributions to the optical conductivity using a low-energy model for a gener…
Creating and manipulating topological states is a key goal of condensed matter physics. Periodic driving offers a powerful method to manipulate electronic states, and even to create topological states in solids. Here, we investigate the tunable Floquet states in a periodically driven higher-order nodal line semimetal with both spatial inversion and time-reversal symmetries. We found that the Floquet Weyl semimetal states, which support both one-dimensional hinge Fermi arc and two-dimensional surface Fermi arc states, can be induced in the higher-order nodal-line semimetal by shining circularly…
Spatial modulations, such as multilayers, to realize topological materials have recently been studied in theoretical and experimental works. In this paper, we investigate properties of the multilayers of the nodal-line semimetal (NLS) and the normal insulator. We consider two types of multilayers, with the stacking direction being perpendicular or parallel to the plane where the nodal line lies. In particular, we show that when the stacking direction is parallel to the plane, the nodal lines remain but they change their shapes because of the folding of the Brillouin zone. We also study the mul…
We investigate the electron spectra, Fermi surfaces and their characteristics near crossing points of two band-contact lines in nodal-line semimetals. In particular, the extremal cross-sectional areas, and the appropriate cyclotron masses are calculated. We also find the phase of the quantum oscillations associated with the electron orbits near the crossing point. The analysis of all these quantities is carried out both without and with consideration of the spin-orbit interaction. To illustrate the obtained results, we apply them to ZrSiS in which the crossing of the nodal lines occurs.
We study the electronic band structure of three-dimensional ABC-stacked (rhombohedral) graphdiyne, which is a new planar carbon allotrope recently fabricated. Using the first-principles calculation, we show that the system is a nodal-line semimetal, in which the conduction band and valence band cross at a closed ring in the momentum space. We derive the minimum tight-binding model and the low-energy effective Hamiltonian in a $4\times 4$ matrix form. The nodal line is protected by a non-trivial winding number, and it ensures the existence of the topological surface state in a finite-thickness …
We theoretically investigate the barrier tunneling in the three-dimensional model of the hyperhoneycomb lattice, which is a nodal-line semimetal with a Dirac loop at zero energy. In the presence of a rectangular potential, the scattering amplitudes for different injecting states around the nodal loop are calculated, by using analytical treatments of the effective model, as well as numerical simulations of the tight binding model. In the low energy regime, states with remarkable transmissions are only concentrated in a small range around the loop plane. When the momentum of the injecting electr…
The existence and topological classification of lower-dimensional Fermi surfaces is often tied to the crystal symmetries of the underlying lattice systems. Artificially engineered lattices, such as heterostructures and other superlattices, provide promising avenues to realize desired crystal symmetries that protect lower-dimensional Fermi surface, such as nodal lines. In this work, we investigate a Weyl semimetal subjected to spatially periodic onsite potential, giving rise to several phases, including a nodal-line semimetal phase. In contrast to proposals that purely focus on lattice symmetri…
We investigate the low-temperature thermoelectric properties of three-dimensional nodal-line semimetals within the semiclassical Boltzmann formalism. Considering short-range interaction between electrons and scattering agents, we calculate the anisotropic relaxation times and then obtain the charge conductivity and thermopower along the radial and the axial directions with respect to the nodal-line plane. Increasing the carrier concentration, a topological transition in the shape of the Fermi surface from a torus into an ellipsoid signal as a sharp change in the thermopower. An adequate treatm…
A three-dimensional (3D) nodal-loop semimetal phase is exploited to engineer a number of intriguing phases featuring different peculiar topological surface states. In particular, by introducing various two-dimensional gap terms to a 3D tight-binding model of a nodal-loop semimetal, we obtain a rich variety of topological phases of great interest to ongoing theoretical and experimental studies, including chiral insulator, degenerate-surface-loop insulator, second-order topological insulator, as well as Weyl semimetal with tunable Fermi arc profiles. The unique concept underlying our approach is…
Close to the Fermi energy, nodal loop semimetals have a torus-shaped, strongly anisotropic Fermi surface which affects their transport properties. Here we investigate the non-equilibrium dynamics of nodal loop semimetals by going beyond linear response and determine the time evolution of the current after switching on a homogeneous electric field. The current grows monotonically with time for electric fields perpendicular to the nodal loop plane however it exhibits non-monotonical behavior for field orientations aligned within the plane. After an initial non-universal growth $\sim Et$, the cur…
We identify a topological Z index for three dimensional chiral insulators with P*T symmetry where two Hamiltonian terms define a nodal loop. Such systems may belong in the AIII or DIII symmetry class. The Z invariant is a winding number assigned to the nodal loop and has a correspondence to the geometric relation between the nodal loop and the zeroes of the gap terms. Dirac cone edge states under open boundary conditions are in correspondence with the winding numbers assigned to the nodal loops. We verify our method with the low-energy effective Hamiltonian of a three-dimensional material of t…
Starting from a minimal model for a 2D nodal loop semimetal, we study the effect of chiral mass gap terms. The resulting Dirac loop anomalous Hall insulator's Chern number is the phase winding number of the mass gap terms on the loop. We provide simple lattice models, analyze the topological phases and generalize a previous index characterizing topological transitions. The responses of the Dirac loop anomalous Hall and quantum spin Hall insulators to a magnetic field's vector potential are also studied both in weak and strong field regimes, as well as the edge states in a ribbon geometry.
We study the magnetic susceptibility in various three-dimensional gapless systems, including Dirac and Weyl semimetals and a line-node semimetal. The susceptibility is decomposed into the orbital term, the spin term and also the spin-orbit cross term which is caused by the spin-orbit interaction. We show that the orbital susceptibility logarithmically diverges at the band touching energy in the point-node case, while it exhibits a stronger delta-function singularity in the line node case. The spin-orbit cross term is shown to be paramagnetic in the electron side while diamagnetic in the hole s…
We introduce a two-band model of three-dimensional nodal line semimetals, the Fermi surface of which at half-filling may form various one-dimensional configurations of different topology. We study the symmetries and "drumhead" surface states of the model, and find that the transitions between different configurations, namely, the Lifshitz transitions, can be identified solely by the number of gap-closing points on some high-symmetry planes in the Brillouin zone. A global phase diagram of this model is also obtained accordingly. We then investigate the effect of some extra terms analogous to a …
Among different topological and related phases of condensed matter, nodal semimetals occupy a special place - the electronic band topology in these materials is related to three-dimensional bulk, rather than to surface, states. A great variety of different realizations of electronic band crossings (the nodes) leads to a plethora of different electronic properties, ranging from the chiral anomaly to solid-state realizations of a black-hole horizon. The different nodal phases have similar low-energy band structure and quasiparticle dynamics, which both can be accessed experimentally by a number …
We study transport properties of topological Weyl nodal-line semimetals(NLSs). Starting from a minimal lattice model with a single nodal loop, and by focusing on a normal-metal-NLS-normal-metal junction, we investigate the dependence of the novel transport behavior on the orientation of the nodal loop. When the loop is parallel to the junction interfaces, the transmitted current is found to be nearly fully spin-polarized. Correspondingly, there exists a spin orientation, along which the incident electrons would be totally reflected. An unusual resonance of half transmission with the participat…
We present a study of "nodal semimetal" phases, in which non-degenerate conduction and valence bands touch at points (the "Weyl semimetal") or lines (the "line node semimetal") in three-dimensional momentum space. We discuss a general approach to such states by perturbation of the critical point between a normal insulator (NI) and a topological insulator (TI), breaking either time reversal (TR) or inversion symmetry. We give an explicit model realization of both types of states in a NI--TI superlattice structure with broken TR symmetry. Both the Weyl and the line-node semimetals are characteri…
Unveiling new topological phases of matter is one of the current objectives in condensed matter physics. Recent experimental discoveries of Dirac and Weyl semimetals prompt to search for other exotic phases of matter. Here we present a systematic angle-resolved photoemission spectroscopy (ARPES) study of ZrSiS, a prime topological nodal semimetal candidate. Our wider Brillouin zone (BZ) mapping shows multiple Fermi surface pockets such as the diamond-shaped Fermi surface, ellipsoidal-shaped Fermi surface, and a small electron pocket encircling at the zone center (G) point, the M point and the …
In this work, we propose a ferromagnetic Bi$_2$Se$_3$ as a candidate to hold the coexistence of Weyl- and nodal-line semimetal phases, which breaks the time reversal symmetry. We demonstrate that the type-I Weyl semimetal phase, type-I-, type-II- and their hybrid nodal-line semimetal phases can arise by tuning the Zeeman exchange field strength and the Fermi velocity. Their topological responses under U(1) gauge field are also discussed. Our results raise a new way for realizing Weyl and nodal-line semimetals and will be helpful in understanding the topological transport phenomena in three-dim…
We study the electronic structure and topological properties of monolayer and ABC-stacked multilayer of graphyne-$N$, which are a family of planar carbon sheets consisting of $sp$ and $sp_2$-bonding. By using the density-functional theory and the effective continuum model, we find a striking even-odd effect in the dependence of the band structure on $N$ (the number of carbon-carbon triple bonds between neighboring benzene rings). Specifically, even-$N$ graphyne monolayer has doubly-degenerate conduction and valence bands near the Fermi energy, and in its ABC multilayer, the band inversion of t…
Using first-principles calculations we predict that $\mathrm{TiRhAs}$, a previously synthesized compound, is a Dirac nodal line (DNL) semimetal. The DNL in this compound is found to be protected both by the combination of inversion and time-reversal symmetry, and by a reflection symmetry, in the absence of spin-orbit coupling (SOC). Our calculations show that band velocities associated with the nodal line have a high degree of directional anisotropy, with in-plane velocities $v_\perp$ perpendicular to the nodal line between $1.2-2.8\times10^5$ m/s. The crossings along the DNL are further found…
We investigate two-dimensional trilayered quantum systems with multi-orbital conduction bands by focusing on the role played by the layer degree of freedom in setting the character of nodal line semimetals. The layer index can label the electronic states where the electrons reside in the unit cell and can enforce symmetry constraints in the electronic structure by protecting bands crossing. We demonstrate that both the atomic spin-orbit coupling and the removal of local orbital degeneracy can lead to different types of electronic transitions with nodal lines that undergo a changeover from a lo…
Graphene is known as a two-dimensional Dirac semimetal, in which electron states are described by the Dirac equation of relativistic quantum mechanics. Three-dimensional analogues of graphene are characterized by Dirac points or lines in momentum space, which are protected by symmetry. Here, we report a novel 3D carbon allotrope belonging to a class of topological nodal line semimetals, discovered by using an evolutionary structure search method. The new carbon phase in monoclinic $C$2$/m$ space group, termed $m$-$C_8$, consists of five-membered rings with $sp^3$ bonding interconnected by $sp^…
Recently, topological quantum states of non-Hermitian systems, exhibiting rich new exotic states, have attracted great attention in condensed-matter physics. As for the demonstration, most of non-Hermitian topological phenomena previously focused on are in one- and two-dimensional systems. Here, we investigate three-dimensional non-Hermitian nodal-line semimetals in the presence of a particle gain-and-loss perturbation. It is found that this perturbation will split the original nodal ring into two exceptional rings (ERs). The topological nature of the bulk electronic structure is characterized…
We consider the impact of disorder on the spectrum of three-dimensional nodal-line semimetals. We show that the combination of disorder and a tilted spectrum naturally leads to a non-Hermitian self-energy contribution that can split a nodal line into a pair of exceptional lines. These exceptional lines form the boundary of an open and orientable bulk Fermi ribbon in reciprocal space on which the energy gap vanishes. We find that the orientation and shape of such a disorder-induced bulk Fermi ribbon is controlled by the tilt direction and the disorder properties, which can also be exploited to …
We investigate single-particle ballistic scattering on a rectangular barrier in the nodal-line Weyl semimetals. Since the system under study has a crystallographic anisotropy, the scattering properties are dependent on mutual orientation of the crystalline axis and the barrier. To account for the anisotropy, we examine two different barrier orientations. It is demonstrated that, for certain angles of incidence, the incoming particle passes through the barrier with probability of unity. This is a manifestation of the Klein tunneling, a familiar phenomenon in the context of graphene and semimeta…
Band-crossings occurring on a mirror plane are compelled to form a nodal loop in the momentum space without spin-orbit coupling (SOC). In the presence of other equivalent mirror planes, multiple such nodal loops can combine to form interesting nodal-link structures. Here, based on first-principles calculations and an effective $\mathbf{k.p}$ model analysis, we show that CaAuAs hosts a unique starfruit-like nodal-link structure in the bulk electronic dispersion in the absence of SOC. This nodal-link is comprised of three nodal loops, which cross each other at the time-reversal-invariant momentu…
In topological semimetals, the valence band and conduction band meet at zero-dimensional nodal points or one-dimensional nodal rings, which are protected by band topology and symmetries. In this Rapid Communication, we introduce "nodal-link semimetals", which host linked nodal rings in the Brillouin zone. We put forward a general recipe based on the Hopf map for constructing models of nodal-link semimetal. The consequences of nodal ring linking in the Landau levels and Floquet properties are investigated.
Nodal-line semimetals are topological semimetals in which band touchings form nodal lines or rings. Around a loop that encloses a nodal line, an electron can accumulate a nontrivial $π$ Berry phase, so the phase shift in the Shubnikov-de Haas (SdH) oscillation may give a transport signature for the nodal-line semimetals. However, different experiments have reported contradictory phase shifts, in particular, in the WHM nodal-line semimetals (W=Zr/Hf, H=Si/Ge, M=S/Se/Te). For a generic model of nodal-line semimetals, we present a systematic calculation for the SdH oscillation of resistivity unde…
Recently, the nodal line semimetals have attracted considerable interests in condensed matter physics. We show that their distinct band structure can be detected by measuring the collective modes. In particular, we find that the dependence of the plasmon frequency $ω_p$ on the electron density $n$ follows a $ω_p \sim n^{1/4}$ law in the long wavelength limit. Our results will be useful in the ongoing search for new candidates of nodal line semimetals.
Nodal-line semimetals, one of the topological semimetals, have degeneracy along nodal lines where the band gap is closed. In many cases, the nodal lines appear accidentally, and in such cases it is impossible to determine whether the nodal lines appear or not, only from the crystal symmetry and the electron filling. In this paper, for spinless systems, we show that in specific space groups at $4N+2$ fillings ($8N+4$ fillings including the spin degree of freedom), presence of the nodal lines is required regardless of the details of the systems. Here, the spinless systems refer to crystals where…
We investigate the optical activity of tilted nodal loop semimetals. We calculate the full conductivity matrix for a band structure containing a nodal loop with possible tilt in the $x-y$ plane, which allows us to study the Kerr rotation and ellipticity both for a thin film and a bulk material. We find signatures in the Kerr signal that give direct information about the tilt velocity and direction, the radius of the nodal loop and the internal chemical potential of the system. These findings should serve as guide to understanding optical measurements of nodal loop semimetals and as an addition…
Based on first-principles calculation and effective model analysis, we propose that the cubic antiperovskite material Cu$_3$PdN can host a three-dimensional (3D) topological nodal line semimetal state when spin-orbit coupling (SOC) is ignored, which is protected by coexistence of time-reversal and inversion symmetry. There are three nodal line circles in total due to the cubic symmetry. "Drumhead"-like surface flat bands are also derived. When SOC is included, each nodal line evolves into a pair of stable 3D Dirac points as protected by C$_4$ crystal symmetry. This is remarkably distinguished …
We introduce a new type of topological magnon matter: the magnonic pendant to electronic nodal-line semimetals. Magnon spectra of anisotropic pyrochlore ferromagnets feature twofold degeneracies of magnon bands along a closed loop in reciprocal space. These magnon nodal lines are topologically protected by the coexistence of inversion and time-reversal symmetry; they require the absence of spin-orbit interaction (no Dzyaloshinskii-Moriya interaction). We calculate the topological invariants of the nodal lines and show that details of the associated magnon drumhead surface states depend strongl…
The high-magnetic-field thermoelectric effect in nodal-line semimetals with straight nodal lines was investigated. Three-dimensional (3D) Dirac/Weyl semimetals exhibit constant thermoelectric Hall conductivity at the high-magnetic-field quantum limit, resulting in a boundless linear increase of Seebeck coefficient. This is known as the quantized thermoelectric Hall effect (QTHE), and is expected to lead to high-performance thermoelectricity at low temperatures. Here, in addition to Dirac/Weyl semimetals, we demonstrated that 3D semimetals with straight nodal lines can also exhibit the QTHE und…
