Signature of an Ultrafast Photo-Induced Lifshitz Transition in the Nodal-Line Semimetal ZrSiTe
Robert J. Kirby, Lukas Muechler, Sebastian Klemenz, Caroline Weinberg, Austin Ferrenti, Mohamed Oudah, Daniele Fausti, Gregory D. Scholes, Leslie M. Schoop
Here we report an ultrafast optical spectroscopic study of the nodal-line semimetal ZrSiTe. Our measurements reveal that, converse to other compounds of the family, the sudden injection of electronic excitations results in a strongly coherent response of an $A_{1g}$ phonon mode which dynamically modifies the distance between Zr and Te atoms and Si layers. "Frozen phonon" DFT calculations, in which band structures are calculated as a function of nuclear position along the phonon mode coordinate, show that large displacements along this mode alter the material's electronic structure significantly, forcing bands to approach and even cross the Fermi energy. The incoherent part of the time domain response reveals that a delayed electronic response at low fluence discontinuously evolves into an instantaneous one for excitation densities larger than $3.43 \times 10^{17}$ cm$^{-3}$. This sudden change of the dissipative channels for electronic excitations is indicative of an ultrafast Lifshitz transition which we tentatively associate to a change in topology of the Fermi surface driven by a symmetry preserving $A_{1g}$ phonon mode.
The layered material ZrSiTe is currently extensively investigated as a nodal-line semimetal with Dirac-like band crossings protected by nonsymmorphic symmetry close to the Fermi energy. A recent infrared spectroscopy study on ZrSiTe under external pressure found anomalies in the optical response, providing hints for pressure-induced phase transitions at $\approx$4.1 and $\approx$6.5 GPa. By pressure-dependent Raman spectroscopy and x-ray diffraction measurements combined with electronic band structure calculations we find indications for two pressure-induced Lifshitz transitions with major cha…
We studied the effect of external pressure on the optical response of the nodal-line semimetal candidate ZrSiTe by reflectivity measurements. At pressures of a few GPa, the reflectivity, optical conductivity, and loss function are strongly affected in the whole measured frequency range (200-16500 cm$^{-1}$), indicating drastic changes in the electronic band structure. The pressure-induced shift of the electronic bands affects both the intraband and interband transitions. We find anomalies in the pressure dependence of several optical parameters at the pressures $P_{c1}$$\approx$4.1 GPa and $P_…
We study the electronic structure of the nodal line semimetal ZrSiTe both experimentally and theoretically. We find two different surface states in ZrSiTe - topological drumhead surface states and trivial floating band surface states. Using the spectra of Wilson loops, we show that a non-trivial Berry phase that exists in a confined region within the Brillouin Zone gives rise to the topological drumhead-type surface states. The $\mathbb{Z}_2$ structure of the Berry phase induces a $\mathbb{Z}_2$ 'modular arithmetic' of the surface states, allowing surface states deriving from different nodal l…
The discovery of topological semimetal phase in three-dimensional (3D) systems is a new breakthrough in topological material research. Dirac nodal-line semimetal is one of the three topological semimetal phases discovered so far; it is characterized by linear band crossing along a line/loop, contrasted with the linear band crossing at discrete momentum points in 3D Dirac and Weyl semimetals. The study of nodal-line semimetal is still at initial stage; only three material systems have been verified to host nodal line fermions until now, including PbTaSe2, PtSn 4and ZrSiS. In this letter, we rep…
Drumhead surface states that link together loops of nodal lines arise in Dirac nodal-line semimetals as a consequence of the topologically non-trivial band crossings. We used low-temperature scanning tunneling microscopy and Fourier-transformed scanning tunneling spectroscopy to investigate the quasiparticle interference (QPI) properties of ZrSiTe. Our results show two scattering signals across the drumhead state resolving the energy-momentum relationship through the occupied and unoccupied energy ranges it is predicted to span. Observation of this drumhead state is in contrast to previous stu…
ZrSiS is a nodal-line semimetal, whose electronic band structure contains a diamond-shaped line of Dirac nodes. We carried out a comparative study on the optical conductivity of ZrSiS and related compounds ZrSiSe, ZrSiTe, ZrGeS, and ZrGeTe by reflectivity measurements over a broad frequency range combined with density functional theory calculations. The optical conductivity exhibits a distinct U shape, ending at a sharp peak at around 10000~cm$^{-1}$ for all studied compounds, except for ZrSiTe. The U shape of the optical conductivity is due to transitions between the linearly dispersing bands…
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.
The discovery of a topological nodal-line (TNL) semimetal phase in ZrSiS has invigorated the study of other members of this family. Here, we present a comparative electronic structure study of ZrSiX (where X = S, Se, Te) using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. Our ARPES studies show that the overall electronic structure of ZrSiX materials comprises of the diamond-shaped Fermi pocket, the nearly elliptical-shaped Fermi pocket, and a small electron pocket encircling the zone center ($Γ$) point, the M point, and the X point of the Brillouin zone,…
The nodal-line semimetals have attracted immense interest due to the unique electronic structures such as the linear dispersion and the vanishing density of states as the Fermi energy approaching the nodes. Here, we report temperature-dependent transport and scanning tunneling microscope (spectroscopy) (STM[S]) measurements on nodal-line semimetal ZrSiSe.Our experimental results and theoretical analyses consistently demonstrate that the temperature induces Lifshitz transitions at 80 and 106 K in ZrSiSe, which results in the transport anomalies at the same temperatures. More strikingly, we obse…
We performed a high energy resolution ARPES investigation of over-doped Ba0.1K0.9Fe2As2 with T_c= 9 K. The Fermi surface topology of this material is similar to that of KFe2As2 and differs from that of slightly less doped Ba0.3K0.7Fe2As2, implying that a Lifshitz transition occurred between x=0.7 and x=0.9. Albeit for a vertical node found at the tip of the emerging off-M-centered Fermi surface pocket lobes, the superconducting gap structure is similar to that of Ba0.3K0.7Fe2As2, suggesting that the paring interaction is not driven by the Fermi surface topology.
We demonstrate a unique approach to test the signature of the nodal-line physics by thermodynamic methods. By measuring magnetic susceptibility in ZrSiS we found an intriguing temperature-driven crossover from dia- to paramagnetic behavior. We show that the anomalous behavior represents a real thermodynamic signature of the underlying nodal-line physics through the means o chemical pressure (isovalent substitution of Zr for Hf), quantum oscillations, and theoretical model ng. The anomalous part of the susceptibility is orbital by nature, and it arises due to the vicinity of the Fermi level to …
We give an exhaustive characterization of the topology of band structures in class AI, using nonsymmorphic space group 33 ($Pna2_1$) as a representative example where a great variety of symmetry protected line-nodal structures can be formed. We start with the topological classification of all line-nodal structures given through the combinatorics of valence irreducible representations (IRREPs) at a few high-symmetry points (HSPs) at a fixed filling. We decompose the total topology of nodal valence band bundles through the local topology of elementary (i.e. inseparable) nodal structures and the …
Although the band topology of ZrGeSe has been studied via magnetic torque technique, the electronic transport behaviors related to the relativistic Fermions in ZrGeSe are still unknown. Here, we first report systematic electronic transport properties of high-quality ZrGeSe single crystals under magnetic fields up to 14 T. Resistivity plateaus of temperature dependent resistivity curves both in the presence and absence of magnetic fields as well as large, non-saturating magnetoresistance in low-temperature region were observed. By analyzing the temperature- and angular-dependent Shubnikov-de Ha…
Investigating the pressure dependence of the superconducting (SC) transition temperature $T_{\rm c}$ is crucial for understanding the SC mechanism. Herein, we report on the pressure dependence of $T_{\rm c}$ in the nonmagnetic topological line-nodal material CaSb$_2$, based on measurements of electric resistance and alternating current magnetic susceptibility. $T_{\rm c}$ initially increases with increasing pressure and peaks at $\sim$ 3.1~GPa. With a further increase in pressure, $T_{\rm c}$ decreases and finally becomes undetectable at 5.9~GPa. Because no signs of phase transition or Lifshit…
Optical properties of nodal-line semimetal ZrSiS are studied using first-principles calculations. Frequency-independent optical conductivity is a fingerprint of the infrared optical response in ZrSiS. We find that this characteristic feature is robust with respect to uniaxial compressive strain of up to 10 GPa, yet with the flat region being narrowed with increasing strain. Upon uniaxial tensile stress of 2 GPa, the Fermi surface undergoes a Lifshitz transition accompanied by a weakening of the interband screening, which reduces the spectral weight of infrared excitations. We also show that th…
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…
Recently, anomalies in the temperature dependences of the carrier density and/or mobility derived from analysis of the magnetoresistivities using the conventional two-band model have been used to unveil intriguing temperature-induced Lifshitz transitions in various materials. For instance, two temperature-driven Lifshitz transitions were inferred to exist in the Dirac nodal-line semimetal ZrSiSe, based on two-band model analysis of the Hall magnetoconductivities where the second band exhibits a change in the carrier type from holes to electrons when the temperature decreases below T = 106 K an…
Topological nodal-line semimetals (TNLSMs) are materials whose conduction and valence bands cross each other, meeting a topologically-protected closed loop rather than discrete points in the Brillouin zone (BZ). The anticipated properties for TNLSMs include drumhead-like nearly flat surface states, unique Landau energy levels, special collective modes, long-range Coulomb interactions, or the possibility of realizing high-temperature superconductivity. Recently, SrAs3 has been theoretically proposed and then experimentally confirmed to be a TNLSM. Here, we report high-pressure experiments on Sr…
Dirac states hosted by Sb/Bi square nets are known to exist in the layered antiferromagnetic AMnX$_2$ (A = Ca/Sr/Ba/Eu/Yb, X=Sb/Bi) material family the space group to be P4/nmm or I4/mmm. In this paper, we present a comprehensive study of quantum transport behaviors, angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations on SrZnSb2, a nonmagnetic analogue to AMnX2, which crystallizes in the pnma space group with distorted square nets. From the quantum oscillation measurements up to 35 T, three major frequencies including F$_1$ = 103 T, F$_2$ = 127 T and F$_3$ = 160…
We report the magneto-transport properties of CaAl$_4$ single crystals with $C2/m$ structure at low temperature. CaAl$_4$ exhibits large unsaturated magnetoresistance $\sim$3000$\%$ at 2.5 K and 14 T. The nonlinear Hall resistivity is observed, which indicates the multi-band feature. The first-principles calculations show the electron-hole compensation and the complex Fermi surface in CaAl$_4$, to which the two-band model with over-simplified carrier mobility can't completely apply. Evident quantum oscillations have been observed with B//c and B//ab configurations, from which the nontrivial Be…
Topological Dirac semimetals (DSMs) exhibit nodal points through which energy bands disperse linearly in three-dimensional (3D) momentum space, a 3D analogue of graphene. The first experimentally confirmed DSMs with a pair of Dirac points (DPs), Na$_{3}$Bi and Cd$_{3}$As$_{2}$, show topological surface Fermi arc states and exotic magneto-transport properties, boosting the interest in the search for stable and nontoxic DSM materials. Here, based on the {\it ab-initio} band structure calculations we predict a family of palladium and platinum oxides as robust 3D DSMs. The novel topological proper…
The nature of the interaction between magnetism and topology in magnetic topological semimetals remains mysterious, but may be expected to lead to a variety of novel physics. We present $ab$ $initio$ band calculations, electrical transport and angle-resolved photoemission spectroscopy (ARPES) measurements on the magnetic semimetal EuAs$_3$, demonstrating a magnetism-induced topological transition from a topological nodal-line semimetal in the paramagnetic or the spin-polarized state to a topological massive Dirac metal in the antiferromagnetic (AFM) ground state at low temperature, featuring a…
Negative magnetoresistance (NMR) induced by the Adler-Bell-Jackiw anomaly is regarded as the most prominent quantum signature of Weyl semimetals when electrical field $E$ is collinear with the external magnetic field $B$. In this article, we report universal NMR in nonmagnetic, centrosymmetric transition metal dipnictides MPn$_{2}$ (M=Nb and Ta; Pn=As and Sb), in which the existence of Weyl fermions can be explicitly excluded. Using temperature-dependent magnetoresistance, Hall and thermoelectric coefficients of Nernst and Seebeck effects, we determine that the emergence of the NMR phenomena i…
