Lattice deformations act on the low-energy excitations of Dirac materials as effective axial vector fields. This allows to directly detect quantum anomalies of Dirac materials via the response to axial gauge fields. We investigate the parity anomaly in Dirac nodal line semimetals induced by lattice vibrations, and establish a topological piezoelectric effect; i.e., periodic lattice deformations generate topological Hall currents that are transverse to the deformation field. The currents induced by this piezoelectric effect are dissipationless and their magnitude is completely determined by the length of the nodal ring, leading to a semi-quantized transport coefficient. Our theoretical proposal can be experimentally realized in various nodal line semimetals, such as CaAgP and Ca$_{_3}$P${_2}$.
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…
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…
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 study what kind of topological crystalline insulator phase emerges from nodal line semimetal phases in the face-centered cubic system which is not indicated by topological indices when spin-orbit coupling (SOC) is introduced. We construct an effective model which hosts two different nodal lines phases, and calculated mirror Chern numbers in it by introducing SOC. As a result, we find that the two nodal line phases with different nodal line configurations are mapped to different topological crystalline insulator phases. This result shows that turning off SOC and checking the nodal line confi…
The distinct over-tilting of band crossings in topological semimetal generates the type-I and typeII classification of Dirac/Weyl and nodal-line fermions, accompanied by the exotic electronic and magnetic transport properties. In this work, we propose a concept of hybrid nodal-chain semimetal, which is identified by the linked type-I and type-II nodal rings in the Brillouin zone. Based on first-principles calculations and swarm-intelligence structure search technique, a new ternary nitride MgCaN2 crystal is proposed as the first candidate to realize a novel 3D hybrid nodal-chain state. Remarka…
We propose that CaP3 family of materials, which include CaP3, CaAs3, SrP3, SrAs3 and BaAs3 can host a three-dimensional topological nodal line semimetal states. Based on first-principle calculations and kp model analysis, we show that a closed topological nodal line exists near the Fermi energy, which is protected by the coexistence of time-reversal and spatial inversion symmetry when the band inversion happens. A drumhead-like surface states are also obtained on the c-direction surface of these materials.
The topological nodal-line semimetal state, serving as a fertile ground for various topological quantum phases, where a topological insulator, Dirac semimetal, or Weyl semimetal can be realized when the certain protecting symmetry is broken, has only been experimentally studied in very few materials. In contrast to discrete nodes, nodal lines with rich topological configurations can lead to more unusual transport phenomena. Utilizing angle-resolved photoemission spectroscopy and first-principles calculations, here, we provide compelling evidence of nodal-line fermions in centrosymmetric semime…
Nodal-line semimetals are characterized by a kind of topologically nontrivial bulk-band crossing, giving rise to almost flat surface states. Yet, a direct evidence of the surface states is still lacking. Here we study theoretically impurity effects in topological nodal-line semimetals based on the T-matrix method. It is found that for a bulk impurity, some in-gap states may be induced near the impurity site, while the visible resonant impurity state can only exist for certain strength of the impurity potentials. For a surface impurity, robust resonant impurity states exist in a wide range of i…
The peculiar shape of the Fermi surface of topological nodal line semimetals at low carrier concentrations results in their unusual optical and transport properties. We analytically investigate the linear optical responses of three and two-dimensional nodal line semimetals using the Kubo formula. The optical conductivity of a three-dimensional nodal line semimetal is anisotropic. Along the axial direction (\textit{i.e.}, the direction perpendicular to the nodal-ring plane), the Drude weight has a linear dependence on the chemical potential at both low and high carrier dopings. For the radial d…
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.
We theoretically study the three-dimensional topological semimetals with nodal surfaces protected by crystalline symmetries. Different from the well-known nodal-point and nodal-line semimetals, in these materials, the conduction and valence bands cross on closed nodal surfaces in the Brillouin zone. We propose different classes of nodal surfaces, both in the absence and in the presence of spin-orbit coupling (SOC). In the absence of SOC, a class of nodal surfaces can be protected by spacetime inversion symmetry and sublattice symmetry and characterized by a $\mathbb{Z}_2$ index, while another …
Magnetic susceptibility of the topological Weyl, type-II Weyl, Dirac, and line node semimetals is theoretically investigated. Dependences of this susceptibility on the chemical potential, temperature, direction and magnitude of the magnetic field are found. The obtained results show that magnetic measurements can be very useful in investigating these semimetals. As an example, we calculate magnetic susceptibility of Cd$_3$As$_2$, Na$_3$Bi, and Ca$_3$P$_2$.
We study three-dimensional nodal line semimetals (NLSMs) with magnetic ordering and strong spin-orbit interaction. Two distinct classes of magnetic NLSMs are proposed. The first class is band-inversion NLSM where the accidental line node is induced by band inversion and locally protected by glide mirror plane and the combined time-reversal and inversion symmetries. This can be viewed as a trivial stacking of the two-dimensional antiferromagnetic Dirac semimetals. The second class is essential NLSM where the nodal features are filling-enforced by specific magnetic symmetry group. We further pro…
ZrSiS is one of the strong candidates for realistic nodal-line semimetal. We theoretically investigate the dynamical conductivity in ZrSiS by using a multi-orbital theoretical model based on the first-principles band calculation. We find that the dynamical conductivity in the clean limit is actually not frequency independent unlike the ideal Dirac model, while nearly flat dependence is achieved by introducing the energy broadening possibly induced by the disorder. The results can be applied to other compounds with the similar crystal structure, such as ZrSiSe, ZrSiTe, and HfSiS.
Based on first-principles calculations and an effective Hamiltonian analysis, we systematically investigate the electronic and topological properties of alkaline-earth compounds $AX_2$ ($A$=Ca, Sr, Ba; $X$=Si, Ge, Sn). Taking BaSn$_2$ as an example, we find that when spin-orbit coupling is ignored, these materials are three-dimensional topological nodal-line semimetals characterized by a snake-like nodal loop in three-dimensional momentum space. Drumhead-like surface states emerge either inside or outside the loop circle on the (001) surface depending on surface termination, while complicated …
Topological semimetals, extending the topological classification from insulators to metals, have greatly enriched our understanding of topological states in condensed matter. This is particularly true for topological nodal-line semimetals (TNLSs). In the present paper, we identify layered materials as promising candidates for hosting TNLSs. Based on first-principles calculations and effective model analysis, we propose that layered ferromagnetic rare-earth-metal monohalides LnX (Ln=La, Gd; X=Cl, Br) exhibit long pursued topological phases. Specifically, single-layer LaX and single-layer GdX ar…
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…
The Berry phase and curvature are studied for the Dirac nodal line semimetal of single-component molecular conductor [Pd(dddt)$_2$]. Using two-band model on the basis of a tight-binding model, it is shown that the Berry curvature, $\bm{B}(\bm{k})$, exists along a loop of the nodal line, on which the Berry phase is obtained from surface integral of $\bm{B}(\bm{k})$. The Berry phase, which is called Zak phase, is also calculated from one-dimensional integral of the Berry connection along a line between two equivalent points of boundaries of Brillouin zone. The possible experiment is discussed in…
Recently discovered high-quality nodal chain spin-gapless semimetals $M$F$_3$ ($M$ = Pd, Mn) feature an ultra-clean nodal chain in the spin up channel residing right at the Fermi level and displaying a large spin gap leading to a 100\% spin-polarization of transport properties. Here, we investigate both intrinsic and extrinsic contributions to anomalous and spin transport in this class of materials. The dominant intrinsic origin is found to originate entirely from the gapped nodal chains without the entanglement of any other trivial bands. The side-jump mechanism is predicted to be negligibly …
The optical properties of YbMnSb2 have been measured in a broad frequency range from room temperature down to 7 K. With decreasing temperature, a flat region develops in the optical conductivity spectra at about 300cm-1, which can not be described by the well-known Drude-Lorentz model. A frequency-independent component has to be introduced to model the measured optical conductivity. Our first-principles calculations show that YbMnSb2 possesses a Dirac nodal line near the Fermi level. A comparison between the measured optical properties and calculated electronic band structures suggests that th…
We study the temperature relaxation dynamics of nodal-line semimetals after a sudden excitation in the presence of acoustic and optical phonon modes. We find that the nodal line constrains the electron momenta in scattering processes and, as a result, the temperature relaxation due to acoustic phonons is exponential as a function of time. However, depending on initial conditions, other functional forms are possible. In typical pump-probe experiments, the temperature relaxation is linear due to acoustic phonons with rates that vary as $\sim n^{1/2}$ with density. The temperature relaxation due …
Topological nodal-line semimetals are characterized by the line-contact bulk band crossings and the topological surface states. Breaking certain protecting symmetry turns this system into a Dirac semimetal or Weyl semimetal that hosts zero-dimensional isolated nodal points. Recent advances in band theory predicted a topological nodal-line semimetal state possessing a new type of nodal line in AlB$_2$-type diborides. Here, we report an experimental realization of nodal-line fermions and associated surface states near the Fermi energy in ZrB$_2$ by angle-resolved photoemission spectroscopy combi…
The Imbert-Fedorov (IF) shift is the transverse shift of a beam at a surface or an interface. It is a manifestation of the three-component Berry curvature in three dimensions, and has been studied in optical systems and Weyl semimetals. Here we investigate the IF shift in two types of topological systems, topological semimetals with pseudospin-$N/2$ for an arbitrary integer $N$, and nodal-line semimetals (NLSMs). For the former, we find the IF shift depends on the components of the pseudospin, with the sign depending on the chirality. We term this phenomenon the pseudospin Hall effect of topol…
We propose a simple scheme to construct a model whose Fermi surface is comprised of crossing-line nodes. The Hamiltonian consists of a normal hopping term and an additional term which is odd under the mirror reflection. The line nodes appear along the mirror-invariant planes, where each line node carries the quantized Berry magnetic flux. We explicitly construct a model with the $N$-fold rotational symmetry, where the $2N$ line nodes merge at the north and south poles. Photoirradiation induces a topological phase transition. When we apply photoirradiation along the $k_z$ axis, there emerge poi…
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 …
We propose a class of nodal line semimetals that host an eight-fold degenerate double Dirac nodal line (DDNL) with negligible spin-orbit coupling. We find only 5 of the 230 space groups host the DDNL. The DDNL can be considered as a combination of two Dirac nodal lines, and has a trivial Berry phase. This leads to two possible but completely different surface states, namely, a torus surface state covering the whole surface Brillouin zone and no surface state at all. Based on first-principles calculations, we predict that the hydrogen storage material LiBH is an ideal DDNL semimetal, where the …
Owing to the natural compatibility with current semiconductor industry, silicon allotropes with diverse structural and electronic properties provide promising platforms for the next-generation Si-based devices. After screening 230 all-silicon crystals in the zeolite frameworks by first-principles calculations, we disclose two structurally stable Si allotropes (AHT-Si24 and VFI-Si36) containing open channels as topological node-line semimetals with Dirac nodal points forming a nodal loop in the kz=0 plane of Brillouin zone. Interestingly, their nodal loops protected by inversion and time-revers…
Three-dimensional (3D) topological semimetals represent a new class of topological matters. The study of this family of materials has been at the frontiers of condensed matter physics, and many breakthroughs have been made. Several topological semimetal phases, including Dirac semimetals (DSMs), Weyl semimetals (WSMs), nodal-line semimetals (NLSMs), and triple-point semimetals, have been theoretically predicted and experimentally demonstrated. The low-energy excitation around the Dirac/Weyl nodal points, nodal line, or triply degenerated nodal point can be viewed as emergent relativistic fermi…
Despite being the most studied nodal line semimetal, a clear understanding of the transient state relaxation dynamics and the underlying mechanism in ZrSiS is lacking. Using time and angle resolved photoemission spectroscopy, we study the ultrafast relaxation dynamics in ZrSiS and reveal a unique relaxation in the bulk nodal-line state which is well captured by a simple model based on optical and acoustic phonon cooling. We find linear decay processes for both optical and acoustic phonon relaxations with acoustic cooling suppressed at high temperatures. Our results reveal different decay mecha…
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…
Using a tight-binding model, we theoretically examine the anisotropic conductivity of the nodal line semimetal of a three-dimensional Dirac electron in a single-component molecular conductor [Pd(dddt)$_2$], which consists of four molecules with HOMO and LUMO orbitals per unit cell. The conductivity shows an anisotropy given by $σ_y > σ_x > σ_z$ in accordance with that of the velocity of the Dirac cone where $z$ is the interlayer direction and $y$ is the molecular stacking direction. With increasing pressure, the nodal line semimetal emerges, followed by a loop of the Dirac point where $σ_x$ ta…
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 …
We show by first-principles calculations that the Dirac nodal-line semimetal phase can co-exist with the ferromagnetic order at room temperature in chromium dioxide, a widely used material in magnetic tape applications, under small tensile hydrostatic strains. An ideally flat Dirac nodal ring close to the Fermi energy is placed in the reflection-invariant boundary of the Brillouin zone perpendicular to the magnetic order, and is topologically protected by the unitary mirror symmetry of the magnetic group $D_{4h}(C_{4h})$, which quantizes the corresponding Berry phase into integer multiples of …
We study impurity scattering in the normal and d-wave superconducting states of line nodal semimetals and show that, due to additional scattering phase space available for impurities on the surface, the quasiparticle interference pattern acquires an extended character instead of a discrete collection of delta function peaks. Moreover, using the T-matrix formalism, we demonstrate that the conventional behavior of a scalar impurity in a d-wave superconductor breaks down on the surface of a line nodal semimetal in the quasi flat band limit.
Topological nodal-line semimetals are characterized by one-dimensional lines of band crossing in the Brillouin zone. In contrast to nodal points, nodal lines can be in topologically nontrivial configurations. In this paper, we study the simplest topologically nontrivial forms of nodal line, namely, a single nodal line taking the shape of a knot in the Brillouin zone. We introduce a generic construction for various "nodal-knot semimetals", which yields the simplest trefoil nodal knot and other more complicated nodal knots in the Brillouin zone. The knotted-unknotted transitions by nodal-line re…
While the topological classification of insulators, semimetals, and superconductors in terms of nonspatial symmetries is well understood, less is known about topological states protected by crystalline symmetries, such as mirror reflections and rotations. In this work, we systematically classify topological semimetals and nodal superconductors that are protected, not only by nonspatial (i.e., global) symmetries, but also by a crystal reflection symmetry. We find that the classification crucially depends on (i) the codimension of the Fermi surface (nodal line or point) of the semimetal (superco…
Weyl semimetals and nodal line semimetals are characterized by linear band touching at zero-dimensional points and one-dimensional lines, respectively. We predict that a circularly polarized light drives nodal line semimetals into Weyl semimetals. The Floquet Weyl points thus obtained are tunable by the incident light, which enables investigations of them in a highly controllable manner. The transition from nodal line semimetals to Weyl semimetals is accompanied by the emergence of a large and tunable anomalous Hall conductivity. Our predictions are experimentally testable by transport measure…
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…
Weyl points with monopole charge $\pm 1$ have been extensively studied, however, real materials of multi-Weyl points, whose monopole charges are higher than $1$, have yet to be found. In this Rapid Communication, we show that nodal-line semimetals with nontrivial line connectivity provide natural platforms for realizing Floquet multi-Weyl points. In particular, we show that driving crossing nodal lines by circularly polarized light generates double-Weyl points. Furthermore, we show that monopole combination and annihilation can be observed in crossing-nodal-line semimetals and nodal-chain semi…
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…
New materials such as nodal-line semimetals offer a unique setting for novel transport phenomena. Here, we calculate the quantum correction to conductivity in a disordered nodal-line semimetal. The torus-shaped Fermi surface and encircled $π$ Berry flux carried by the nodal loop result in a fascinating interplay between the effective dimensionality of electron diffusion and band topology, which depends on the scattering range of the impurity potential relative to the size of the nodal loop. For a short-range impurity potential, backscattering is dominated by the interference paths that do not …
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…
