Topological electrons in semimetals are usually vulnerable to chemical doping and environment change, which restricts their potential application in future electronic devices. In this paper we report that the type-II Dirac semimetal $\mathbf{VAl_3}$ hosts exceptional, robust topological electrons which can tolerate extreme change of chemical composition. The Dirac electrons remain intact even after a substantial part of V atoms have been replaced in the $\mathbf{V_{1-x}Ti_xAl_3}$ solid solutions. This Dirac semimetal state ends at $x=0.35$ where a Lifshitz transition to $p$-type trivial metal occurs. The V-Al bond is completely broken in this transition as long as the bonding orbitals are fully depopulated by the holes donated from Ti substitution. In other words, the Dirac electrons in $\mathbf{VAl_3}$ are protected by the V-Al bond whose molecular orbital is their bonding gravity center. Our understanding on the interrelations among electron count, chemical bond and electronic properties in topological semimetals suggests a rational approach to search robust, chemical-bond-protected topological materials.
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$6.5 GPa. By pressure-dependent Raman spectroscopy and x-ray diffraction measurements combined with electronic band structure calculations we find indications for two pressure-induced Lifshitz transitions with major cha…
High pressure Raman spectroscopy of bulk 2H-MoTe$_2$ upto $\sim$ 29 GPa is shown to reveal two phase transitions (at $\sim$ 6 and 16.5 GPa), which are analyzed using first-principles density functional theoretical calculations. The transition at 6 GPa is marked by changes in the pressure coefficients of A$_{1g}$ and E$^{1}_{2g}$ Raman mode frequencies as well as in their relative intensity. Our calculations show that this is an isostructural semiconductor to a semimetal transition. The transition at $\sim$ 16.5 GPa is identified with the changes in linewidths of the Raman modes as well as in t…
Surface Fermi arcs (SFAs), the unique open Fermi-surfaces (FSs) discovered recently in topological Weyl semimetals (TWSs), are unlike closed FSs in conventional materials and can give rise to many exotic phenomena, such as anomalous SFA-mediated quantum oscillations, chiral magnetic effects, three-dimensional quantum Hall effect, non-local voltage generation and anomalous electromagnetic wave transmission. Here, by using in-situ surface decoration, we demonstrate successful manipulation of the shape, size and even the connections of SFAs in a model TWS, NbAs, and observe their evolution that l…
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 significantl…
Non-Hermitian topological systems are the newest additions to the growing field of topological matter. In this work, we report of the light-driven exceptional physics in a multi-Weyl semi-metal. The driving is not only a key ingredient to control the position of the exceptional contours (ECs), light also has the ability to generate new ECs. Interestingly, we also demonstrate topological charge distribution and Lifshitz transition, which are controllable by the driving field in such generated ECs. Our findings present a promising platform for the manipulation and control over exceptional physic…
Studies of the Fermi surface modification after in-situ covering NbP semimetal with heavy elements Pb and Nb ultrathin layers were performed by means of angle-resolved photoemission spectroscopy (ARPES). First, the electronic structure was investigated for pristine single crystals with two possible terminations (P and Nb) of the (0 0 1) surface. The nature of the electronic states of these two cleaving planes is different: P-terminated surface shows spoon and bow tie shaped fingerprints, whereas these shapes are not present in Nb-terminated surfaces. ARPES studies show that even 1 monolayer (M…
Zirconium pentatelluride ZrTe5 is a topological semimetal. The presence of a temperature induced Lifshitz transition, in which the Fermi level goes from the conduction band to the valence band with increasing temperature, provides unique opportunities to study the interplay between Fermi-surface topology, dynamics of Dirac fermions, and Berry curvature in one system. Here we present a combined experimental and theoretical study and show that a low energy model can be used to understand the complicated Hall response and large anomalous Hall effect observed in ZrTe5 over a wide range of temperat…
Using soft x-ray angle-resolved photoemission spectroscopy we probed the bulk electronic structure of Td MoTe2. We found that on-site Coulomb interaction leads to a Lifshitz transition, which is essential for a precise description of the electronic structure. A hybrid Weyl semimetal state with a pair of energy bands touching at both type-I and type-II Weyl nodes is indicated by comparing the experimental data with theoretical calculations. Unveiling the importance of Coulomb interaction opens up a new route to comprehend the unique properties of MoTe2, and is significant for understanding the …
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…
In a semimetal, both electron and hole carriers contribute to the density of states at the Fermi level. The small band overlaps and multi-band effects give rise to many novel electronic properties, such as relativistic Dirac fermions with linear dispersion, titanic magnetoresistance and unconventional superconductivity. Black phosphorus has recently emerged as an exceptional semiconductor with high carrier mobility and a direct, tunable bandgap. Of particular importance is the search for exotic electronic states in black phosphorus, which may amplify the material's potential beyond semiconduct…
The three dimensional (3D) topological insulators are predicted to exhibit a 3D Dirac semimetal state in critical regime of topological to trivial phase transition. Here we demonstrate the first experimental evidence of 3D Dirac semimetal state in topological insulator Bi2Se3 with bulk carrier concentration of ~ 10^19 cm^{-3}, using magneto-transport measurements. At low temperatures, the resistivity of our Bi2Se3 crystal exhibits clear Shubnikov-de Haas (SdH) oscillations above 6T. The analysis of these oscillations through Lifshitz-Onsanger and Lifshitz-Kosevich theory reveals a non-trivial …
Observation of Iso-Symmetric Structural and Lifshitz Transitions in Quasi-one-dimensional CrNbSe$_5$
Michigan State University（密歇根州立大学）；Ames National Laboratory（艾姆斯国家实验室）；Iowa State University（爱荷华州立大学）；University of South Carolina（南卡罗来纳大学）；Harvard University（哈佛大学）
Zirconium pentatelluride ZrTe$_5$, a fascinating topological material platform, hosts exotic chiral fermions in its highly anisotropic three-dimensional Dirac band and holds great promise advancing the next-generation information technology. However, the origin underlying its anomalous resistivity peak has been under debate for decades. Here we provide transport evidence substantiating the anomaly to be a direct manifestation of a Lifshitz transition in the Dirac band with an ultrahigh carrier mobility exceeding 3$\times$10$^5$ cm$^2$ V$^{-1}$ s$^{-1}$. We demonstrate that the Lifshitz transit…
We report high pressure Raman, synchrotron x-ray diffraction and electrical transport studies on Weyl semimetals NbP and TaP along with first-principles density functional theoretical (DFT) analysis. The frequencies of first-order Raman modes of NbP harden with increasing pressure and exhibit a slope change at P$_c$ $\sim$ 9 GPa, and its resistivity exhibits a minimum at P$_c$. The pressure-dependent volume of NbP exhibits a change in its bulk modulus from 207 GPa to 243 GPa at P$_c$. Using DFT calculations, we show that these anomalies are associated with pressure induced Lifshitz transition …
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…
TaSb$_{2}$ has been predicted theoretically and proposed through magnetotransport experiment to be a topological semimetal. In earlier reports, the Shubnikov-de Haas oscillation has been analyzed to probe the Fermi surface, with magnetic field along a particular crystallographic axis only. By employing a sample rotator, we reveal highly anisotropic transverse magnetoresistance by rotating the magnetic field along different crystallographic directions. To probe the anisotropy in the Fermi surface, we have performed magnetization measurements and detected strong de Haas-van Alphen (dHvA) oscilla…
Recently, giant planar Hall effect originating from chiral anomaly has been predicted in nonmagnetic Dirac/Weyl semimetals. ZrTe5 is considered to be an intriguing Dirac semimetal at the boundary of weak topological insulators and strong topological insulators, though this claim still remains controversial. Here, we report the observation in ZrTe5 of the giant planar Hall resistivity that shows two different magnetic-field dependences as predicted by theory and a maximum at the Lifshitz transition temperature. We found that the giant planar Hall resistivity fades out with decreasing the thickn…
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…
Fermi surface is at the heart of our understanding of metals and strongly correlated many-body systems. An abrupt change in the Fermi surface topology, also called Lifshitz transition, can lead to the emergence of fascinating phenomena like colossal magnetoresistance and superconductivity. While Lifshitz transitions have been demonstrated for a broad range of materials by equilibrium tuning of macroscopic parameters such as strain, doping, pressure and temperature, a non-equilibrium dynamical route toward ultrafast modification of the Fermi surface topology has not been experimentally demonstr…
The topological materials have attracted much attention recently. While three-dimensional topological insulators are becoming abundant, two-dimensional topological insulators remain rare, particularly in natural materials. ZrTe5 has host a long-standing puzzle on its anomalous transport properties; its underlying origin remains elusive. Lately, ZrTe5 has ignited renewed interest because it is predicted that single-layer ZrTe5 is a two-dimensional topological insulator and there is possibly a topological phase transition in bulk ZrTe5. However, the topological nature of ZrTe5 is under debate as…
We construct a phase diagram of the parent compound Fe1+xTe as a function of interstitial iron x in terms of the electronic, structural, and magnetic properties. For a concentration of x < 10%, Fe1+xTe undergoes a "semimetal" to metal transition at approximately 70 K that is also first-order and coincident with a structural transition from a tetragonal to a monoclinic unit cell. For x ~ 14%, Fe1+xTe undergoes a second-order phase transition at approximately 58 K corresponding to a "semimetal" to "semimetal" transition along with a structural orthorhombic distortion. At a critical concentration…
The Lorentz-invariance-violating Weyl and Dirac fermions have recently attracted intensive interests as new types of particles beyond high-energy physics, and they demonstrate novel physical phenomena such as angle-dependent chiral anomaly and topological Lifshitz transition. Here we predict the existence of Lorentz-invariance-violating Dirac fermions in the YPd$_2$Sn class of Heusler alloys that emerge at the boundary between the electron-like and hole-like pockets in the Brillouin zone, based on the first-principles electronic structure calculations. In combination with the fact that this cl…
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…
Motivated by recent experimental observation of an hydrostatic pressure induced transition from semiconductor to semimetal in black phosphorus [Chen et al. in arXiv:1504.00125], we present the first principles calculation on the pressure effect of the electronic structures of black phosphorus. It is found that the band crossover and reversal at the Z point occur around the critical pressure Pc1=1.23 Gpa, and the band inversion evolves into 4 twofold-degenerate Dirac cones around the Z point, suggesting a 3D Dirac semimetal. With further increasing pressure the Dirac cones in the Gamma-Z line m…
While strong topological insulators (STI) have been experimentally realized soon after their theoretical predictions, a weak topological insulator (WTI) has yet to be unambiguously confirmed. A major obstacle is the lack of distinct natural cleavage surfaces to test the surface selective hallmark of WTI. With a new scheme, we discover that Bi$_{4}$X$_{4}$ (X=Br, I), stable or synthesized before, can be WTI with two natural cleavage surfaces, where two anisotropic Dirac cones stabilize and annihilate, respectively. We further find four surface state Lifshitz transitions under charge doping and …
Lifshitz transition represents a sudden reconstruction of Fermi surface structure, giving rise to anomalies in electronic properties of materials. Such a transition does not necessarily rely on symmetry-breaking and thus is topological. It holds a key to understand the origin of many exotic quantum phenomena, for example the mechanism of extremely large magnetoresistance (MR) in topological Dirac/Weyl semimetals. Here, we report studies of the angle-dependent MR (ADMR) and the thermoelectric effect in W2As3 single crystal. The compound shows a large unsaturated MR (of about 70000% at 4.2 K and…
We systematically measured the Hall effect in the extremely large magnetoresistance semimetal WTe$_2$. By carefully fitting the Hall resistivity to a two-band model, the temperature dependencies of the carrier density and mobility for both electron- and hole-type carriers were determined. We observed a sudden increase of the hole density below $\sim$160~K, which is likely associated with the temperature-induced Lifshitz transition reported by a previous photoemission study. In addition, a more pronounced reduction in electron density occurs below 50~K, giving rise to comparable electron and ho…
Recent experiments on type-II Weyl semimetals such as WTe$_2$, MoTe$_2$, Mo$_x$W$_{1-x}$Te$_2$ and WP$_2$ reveal remarkable transport properties in presence of a strong magnetic field, including an extremely large magnetoresistance and an unusual temperature dependence. Here, we investigate magnetotransport via the Kubo formula in a minimal model of a type-II Weyl semimetal taking into account the effect of a charge density wave (CDW) transition, which can arise even at weak coupling in the presence of a strong magnetic field because of the special Landau level dispersion of type-II Weyl syste…
We report the magnetoresistance(MR), de Haas-van Alphen (dHvA) oscillations and the electronic structures of single crystal PtGa. The large unsaturated MR is observed with the magnetic field B//[111]. Evident dHvA oscillations with B//[001] configuration have been observed, from which twelve fundamental frequencies are extracted and the spin-orbit coupling effect (SOC) induced band splitting is revealed. The light cyclotron effective masses are extracted from the fitting by the thermal damping term of the Lifshitz-Kosevich (LK) formula. Combining with the calculated frequencies from the first-…
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…
Weyl semimetals are characterized by the presence of massless band dispersion in momentum space. When a Weyl semimetal meets magnetism, large anomalous transport properties emerge as a consequence of its topological nature. Here, using $in-situ$ spin- and angle-resolved photoelectron spectroscopy combined with $ab\ initio$ calculations, we visualize the spin-polarized Weyl cone and flat-band surface states of ferromagnetic Co$_2$MnGa films with full remanent magnetization. We demonstrate that the anomalous Hall and Nernst conductivities systematically grow when the magnetization-induced massiv…
We report on a systematic study of Hall effect using high quality single crystals of type-II Weyl semimetal WTe2 with the applied magnetic field B//c. The residual resistivity ratio of 1330 and the large magnetoresistance of 1.5\times10^6 % in 9 T at 2 K, being in the highest class in the literature, attest to their high quality. Based on a simple two-band model, the densities (n_e and n_h) and mobilities (μ_e and μ_h) for electron and hole carriers have been uniquely determined combining both Hall- and electrical-resistivity data. The difference between ne and nh is ~1% at 2 K, indicating tha…
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…
Topological quantum materials, including topological insulators and superconductors, Dirac semimetals and Weyl semimetals, have attracted much attention recently for their unique electronic structure, spin texture and physical properties. Very lately, a new type of Weyl semimetals has been proposed where the Weyl Fermions emerge at the boundary between electron and hole pockets in a new phase of matter, which is distinct from the standard type I Weyl semimetals with a point-like Fermi surface. The Weyl cone in this type II semimetals is strongly tilted and the related Fermi surface undergos a …
Emergence of Double-Dome Superconductivity in the Pressurized Dirac Semimetal BaMg2Bi2
State Key Laboratory of Quantum Functional Materials, School of Physical Science and Technology, ShanghaiTech University（上海科技大学物理科学与技术学院量子功能材料国家重点实验室）；ShanghaiTech Laboratory for Topological Physics, ShanghaiTech University（上海科技大学拓扑物理实验室）；Anhui Provincial Key Laboratory of Magnetic Functional Materials and Devices, Institutes of Physical Science and Information Technology, Anhui University（安徽大学物质科学与信息技术研究院安徽省磁性功能材料与器件重点实验室）；Shanghai Key Laboratory of High-resolution Electron Microscopy, ShanghaiTech University（上海科技大学高分辨电子显微镜上海市重点实验室）
We report $^{125}$Te NMR measurements of the topological quantum material ZrTe$_5$. Spin-lattice relaxation results, well-explained by a theoretical model of Dirac electron systems, reveal that the topological characteristic of ZrTe$_5$ is $T$-dependent, changing from weak topological insulator to strong topological insulator as temperature increases. Electronic structure calculations confirm this ordering, the reverse of what has been proposed. NMR results demonstrate a gapless Dirac semimetal state occurring at a Lifshitz transition temperature, $T_c=85$ K in our crystals. We demonstrate tha…
We study the finite temperature and magnetic field phase diagram of electrons on the pyrochlore lattice subject to a local repulsion as a model for the pyrochlore iridates. We provide the most general symmetry-allowed Hamiltonian, including next-nearest neighbour hopping, and relate it to a Slater-Koster based Hamiltonian for the iridates. It captures Lifshitz and/or thermal transitions between several phases such as metals, semimetals, topological insulators and Weyl semimetals, and gapped antiferromagnets with different orders. Our results on the charge conductivity, both DC and optical, Hal…
We investigate the electronic structure of a two-dimensional electron gas created at the surface of the multi-valley semimetal 1T-PtSe$_2$. Using angle-resolved photoemission and first-principles-based surface space charge calculations, we show how the induced quantum well subband states form multiple Fermi surfaces which exhibit highly anisotropic Rashba-like spin splittings. We further show how the presence of both electron- and hole-like bulk carriers causes the near-surface band bending potential to develop an unusual non-monotonic form, with spatially-segregated electron accumulation and …
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 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…
Valley-based electronics, known as valleytronics, is one of the keys to break through to a new stage of electronics. The valley degree of freedom is ubiquitous in the honeycomb lattice system. The honeycomb lattice structure of silicon called silicene is an fascinating playground of valleytronics. We investigate topological phases of silicene by introducing different exchange fields on the $A$ and $B$ sites. There emerges a rich variety of topologically protected states each of which has a characteristic spin-valley structure. The single Dirac-cone semimetal is such a state that one gap is clo…
Recent discoveries of a new type of quantum criticality arising from Yb-valence fluctuations in Yb-based metal in periodic crystal and quasicrystal have opened a new class of quantum critical phenomena in correlated electron systems. To clarify whether this new concept can be generalized to other rare-earth-based semimetal and insulator, we study SmS which exhibits golden-black phase transition under pressure. By constructing the model for SmS, we show that Coulomb repulsion between 4f and 5d orbitals at Sm drives first-order valence transition (FOVT) and semimetal-to-insulator transition (MIT…
We report extremely large positive magnetoresistance of 1.72 million percent in single crystal TaSb$_{2}$ at moderate conditions of 1.5 K and 15 T. The quadratic growth of magnetoresistance (MR $\propto\,B^{1.96}$) is not saturating up to 15 T, a manifestation of nearly perfect compensation with $<0.1\%$ mismatch between electron and hole pockets in this semimetal. The compensation mechanism is confirmed by temperature-dependent MR, Hall and thermoelectric coefficients of Nernst and Seebeck, revealing two pronounced Fermi surface reconstruction processes without spontaneous symmetry breaking, …
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…
