We study the electric-field tunable electronic properties of phosphorene thin films, using the framework of density functional theory. We show that phosphorene thin films offer a versatile material platform to study two dimensional Dirac fermions on application of a transverse electric field. Increasing the strength of the transverse electric field beyond a certain critical value in phosphorene leads to the formation of two symmetry protected gapless Dirac fermions states with anisotropic energy dispersion. The spin-orbit coupling splits each of these Dirac state into two spin- polarized Dirac cones which are also protected by non-symmorphic crystal symmetries. Our study shows that the position as well as the carrier velocity of the spin polarized Dirac cone states can be controlled by the strength of the external electric field.
Phosphorene, a honeycomb structure of black phosphorus, was isolated recently. We investigate electric properties of phosphorene nanoribbons based on the tight-binding model. A prominent feature is the presence of quasi-flat edge bands entirely detached from the bulk band. We explore the mechanism of the emergence of the quasi-flat bands analytically and numerically from the flat bands well known in graphene by a continuous deformation of a honeycomb lattice. The quasi-flat bands can be controlled by applying in-plane electric field perpendicular to the ribbon direction. The conductance is swi…
We study the effects of a vertical electric field on the electronic band structure and transport in multilayer phosphorene and its nanoribbons. In phosphorene, at a critical value of the vertical electric field ($E_c$), the band gap closes and the band structure undergoes a massive-to-massless Dirac fermion transition along the armchair direction. This transition is observable in quantum Hall measurements, as the power-law dependence of the Landau-level energy on the magnetic field $B$ goes from $\sim (n+1/2)B$ below $E_c$, to $\sim [(n+1/2)B]^{2/3}$ at $E_c$, to $\sim [(n+1/2)B]^{1/2}$ above …
An antiferromagnetic insulating state has been found in the zigzag phosphorene nanoribbons (ZPNRs) from a comprehensive density functional theory calculations. Comparing with other one-dimensional systems, the magnetism in ZPNRs display several surprising characteristics: (i) the magnetic moments are antiparallel arranged at each zigzag edge; (ii) the magnetism is quite stable in energy (about 29 meV/magnetic-ion) and the band gap is big (about 0.7 eV); (iii) a moderate compressive strain will induce a magnetic to nonmagnetic as well as semiconductor to metal transition. All of these phenomena…
Recent ab initio calculations and experiments reported insulating-semimetallic phase transitions in multilayer phosphorene under a perpendicular dc field, pressure or doping, as a possible route to realize topological phases. In this work, we show that even a monolayer phosphorene may undergo Lifshitz transitions toward semimetallic and topological insulating phases, provided it is rapidly driven by in-plane time-periodic laser fields. Based on a four-orbital tight-binding description, we give an inversion-symmetry-based prescription in order to apprehend the topology of the photon-renormalize…
Transport of the edge-state electrons along zigzag phosphorene nanoribbons in presence of two impurities/vacancies is analytically investigated. Considering the places of the defects, a number of different situations are examined. When both defects are placed on the edge zigzag chain, as is expected, with changing the energy of the traveling electrons the electrical conductance exhibits a resonance behavior. In this case, for two vacancies the observed resonant peaks become extremely sharp. An amazing behavior is seen when the second vacancy is located along an armchair chain while the first i…
We investigate theoretically the anisotropic electronic and optical behaviors of a monolayer black phosphorus (phosphorene) modulated by periodic potential superlattices in arbitrary directions. We demonstrate that different strength and orientation of the phosphorene potential superlattice can give rise to distinct energy spectra, i.e., tuning the intrinsic electronic anisotropy. Accordingly, the anisotropic effective mass, and optical absorption modulated by superlattice strength and orientation are addressed systematically. This feature enables tuning capability more than one order of magni…
As the only non-carbon elemental layered allotrope, few-layer black phosphorus or phosphorene has emerged as a novel two-dimensional (2D) semiconductor with both high bulk mobility and a band gap. Here we report fabrication and transport measurements of phosphorene-hexagonal BN (hBN) heterostructures with one-dimensional (1D) edge contacts. These transistors are stable in ambient conditions for >300 hours, and display ambipolar behavior, a gate-dependent metal-insulator transition, and mobility up to 4000 $cm^2$/Vs. At low temperatures, we observe gate-tunable Shubnikov de Haas (SdH) magneto-o…
The shortcomings of mono-component systems, e.g., the gapless nature of graphene, the lack of air-stability in phosphorene, etc. have drawn great attention toward stacked materials expected to show interesting electronic and optical properties. Using the tight-binding approach and the Green's function method, we investigate the electronic properties of armchair-edged lateral phosphorene/graphene heterostructures, which are either semiconductor/semiconductor or semiconductor/metal heterostructures, depending on the width of graphene ribbon. It is found that the system is narrow-gapped, and the …
Very recently, in spite of various efforts in searching for two dimensional topological Dirac semimetals (2D TDSMs) in phosphorene, there remains a lack of experimentally efficient way to activate such phase transition and the underlying mechanism for the topological phase acquisition is still controversial. Here, from first-principles calculations in combination with a band-sorting technique based on k.p theory, a layer-pressure topological phase diagram is obtained and some of the controversies are clarified. We demonstrate that, compared with tuning by external electric-fields, strain or do…
Black phosphorus consists of stacked layers of phosphorene, a two-dimensional semiconductor with promising device characteristics. We report the realization of a widely tunable bandgap in few-layer black phosphorus doped with potassium using an in-situ surface doping technique. Through band-structure measurements and calculations, we demonstrate that a vertical electric field from dopants modulates the bandgap owing to the giant Stark effect and tunes the material from a moderate-gap semiconductor to a band-inverted semimetal. At the critical field of this band inversion, the material becomes …
We study electronic and optical properties of single layer phosphorene quantum dots with various shapes, sizes, and edge types (including disordered edges) subjected to an external electric field normal to the structure plane. Compared to graphene quantum dots, in phosphorene clusters of similar shape and size there is a set of edge states with energies dispersed at around the Fermi level. These states make the majority of phosphorene quantum dots metallic and enrich the phosphorene absorption gap with low-energy absorption peaks tunable by the electric field. The presence of the edge states d…
We study theoretically the electronic structure of topological nodal-line semimetals. We show that, in the presence of a gap-opening spatially dependent mass term that forms a domain wall, an in-gap charged localized mode emerges at the domain wall. It turns out that such a domain wall is realized by head-to-head (or tail-to-tail) bulk electric polarizations. The localized mode has a topological origin, i.e., a topological confinement is realized, which is understood by a semiclassical topological number defined in the semiclassical momentum-real space. In contrast to previous studies, our stu…
We propose that illumination with light provides a useful platform for creating tunable semimetals. We show that by shining light on semimetals with a line degeneracy, one can convert them to a point node semimetal. These point nodes are adjustable and their position can be controlled by simply rotating the incident light beam. We also discuss the implications of this change in Fermi surface topology, as manifested in transport observables.
The anisotropic nature of the new two-dimensional (2D) material phosphorene, in contrast to other 2D materials such as graphene and transition metal dichalcogenide (TMD) semiconductors, allows excitons to be confined in a quasi-one-dimensional (1D) space predicted in theory, leading to remarkable phenomena arising from the reduced dimensionality and screening. Here, we report a trion (charged exciton) binding energy of 190 meV in few-layer phosphorene at room temperature, which is nearly one to two orders of magnitude larger than those in 2D TMD semiconductors (20-30 meV) and quasi-2D quantum …
Cd3As2 is a model material of Dirac semimetal with a linear dispersion relation along all three directions in the momentum space. The unique band structure of Cd3As2 makes it with both Dirac and topological properties. It can be driven into a Weyl semimetal by the symmetry breaking or a topological insulator by enhancing the spin-orbit coupling. Here we report the temperature and gate voltage dependent magnetotransport properties of Cd3As2 nanoplates with Fermi level near the Dirac point. The Hall anomaly demonstrates the two-carrier transport accompanied by a transition from n-type to p-type …
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…
We theoretically demonstrate that class-I topological Dirac semimetals (TDSMs) can provide a platform for realizing both electrically and magnetically tunable spin-charge conversion. With time-reversal symmetry, the spin component along the uniaxial rotation axis ($z$-axis) is approximately conserved, which leads to an anisotropic spin Hall effect -- the resulting spin Hall current relies on the relative orientation between the external electric field and the $z$-axis. The application of a magnetic field, on the other hand, breaks time-reversal symmetry, driving the TDSM into a Weyl semimetal …
We propose a one-parameter family of noninteracting lattice models for Weyl semimetals with 4 Weyl nodes and tunable Fermi arcs. These 2-band model Hamiltonians are time-reversal symmetric with $\mathrm{T}^2 = + 1$, and tuning the parameter changes the connectivity of the Fermi arcs continuously without affecting the location and chiralities of the Weyl nodes in the bulk Brillouin zone. The bulk polarization and magnetization are shown to vary with this parameter, a dependence inaccessible to the low energy effective field theory.
Bulk-boundary correspondence has achieved a great success in the identification of topological states. However, this elegant strategy doesn't apply to the Dirac semimetals (DSMs). Here, we propose that kagome lattices Pd$_3$Pb$_2$X$_2$ (X = S, Se) are unique type-I DSMs without surface Fermi arc states, which are different from the previous well-known DSMs, such as Na$_3$Bi and Cd$_3$As$_2$. Pd$_3$Pb$_2$X$_2$ are characterized by nontrivial topological invariant Z$_3$, guaranteeing a higher-order bulk-hinge correspondence and the existence of higher-order Fermi arcs, as well as fractional corn…
We propose a new topological quantum state of matter---the two-dimensional (2D) Weyl half semimetal (WHS), which features 2D Weyl points at Fermi level belonging to a single spin channel, such that the low-energy electrons are described by fully spin-polarized 2D Weyl fermions. We predict its realization in the ground state of monolayer PtCl$_3$. We show that the material is a half metal with an in-plane magnetization, and its Fermi surface consists of a pair of fully spin-polarized Weyl points protected by a mirror symmetry, which are robust against spin-orbit coupling. Remarkably, we show th…
Zigzag phosphorene nanoribbons are metallic owing to the edge states, whose energies are inside the gap and far from the bulk bands. We show that -- through electrical manipulation of edge states -- electron propagation can be restricted to one of the ribbon edges or, in case of bilayer phosphorene nanoribbons, to one of the layers. This finding implies that edge and layer can be regarded as tunable equivalents of the spin-one-half degree of freedom, i.e., the pseudospin. In both layer- and edge-pseudospin schemes, we propose and characterize a pseudospin field-effect transistor, which can gen…
We discuss first-principles topological electronic structure of noncentrosymmetric SrSi$_2$ materials class based on the hybrid exchange-correlation functional. Topological phase diagram of SrSi$_2$ is mapped out as a function of the lattice constant with focus on the semimetal order. A tunable double-Weyl Fermion state in Sr$_{1-x}$Ca$_{x}$Si$_2$ and Sr$_{1-x}$Ba$_{x}$Si$_2$ alloys is identified. Ca doping in SrSi$_2$ is shown to yield a double-Weyl semimetal with a large Fermi arc length, while Ba doping leads to a transition from the topological semimetal to a gapped insulator state. Our st…
The propagation of light in Weyl semimetal films is analyzed. The magnetic family of these materials is known by anomalous Hall effect, which, being enhanced by the large Berry curvature, allows one to create strong gyrotropic and nonreciprocity effects without external magnetic field. The existence of nonreciprocal waveguide electromagnetic modes in ferromagnetic Weyl semimetal films in the Voigt configuration is predicted. Thanks to the strong dielectric response caused by the gapless Weyl spectrum and the large Berry curvature, ferromagnetic Weyl semimetals combine the best waveguide proper…
Tunable two-dimensional Dirac-Weyl semimetal phase induced by altermagnetism
College of Physics, Hebei Normal University（河北师范大学物理学院）；International Center for Quantum Materials, School of Physics, Peking University（北京大学物理学院量子材料国际中心）；Hefei National Laboratory（合肥国家实验室）
Ferroelectricity, the electrostatic counterpart to ferromagnetism, has long been thought to be incompatible with metallicity due to screening of electric dipoles and external electric fields by itinerant charges. Recent measurements, however, demonstrated signatures of ferroelectric switching in the electrical conductance of bilayers and trilayers of WTe$_2$, a semimetallic transition metal dichalcogenide with broken inversion symmetry. An especially promising aspect of this system is that the density of electrons and holes can be continuously tuned by an external gate voltage. This degree of …
Asymmetric Weyl semimetals, which possess an inherently chiral structure, have different energies and dispersion relations for left- and right-handed fermions. They exhibit certain effects not found in symmetric Weyl semimetals, such as the quantized circular photogalvanic effect and the helical magnetic effect. In this work, we derive the conditions required for breaking chiral symmetry by applying an external field in symmetric Weyl semimetals. We explicitly demonstrate that in certain materials with the $T_d$ point group, magnetic fields along low symmetry directions break the symmetry betw…
Weyl semimetals and nodal line semimetals are characterized by linear electronic bands touching at zero-dimensional points and one-dimensional lines, respectively. Recently, it has been predicted that nodal line semimetals can be driven into tunable Floquet-Weyl semimetals by circularly polarized light. Here, we study the occurrence of interface states between two regions of a nodal line semimetal shined by two beams of light with opposite circular polarizations. Within a minimal model, we find remarkable modifications of the energy structure by tuning the polarized light, such as the possible…
The ZrSiS-type compounds are Dirac semimetals and have been attracting considerable interest in recent years due to their topological electronic properties and possible applications. In particular, gapped Dirac nodes can possess large spin Berry curvatures and thus give rise to large spin Hall effect (SHE) and spin Nernst effect (SNE), which may be used to generate pure spin current for spintronics and spin caloritronics without applied magnetic field or magnetic material. In this paper we study both SHE and SNE in ZrXY (X = Si, Ge; Y = S, Se, Te) based on \textit{ab initio} relativistic band …
Recently, higher-order topological matter and 3D quantum Hall effects have attracted great attention. The Fermi-arc mechanism of the 3D quantum Hall effect proposed in Weyl semimetals is characterized by the one-sided hinge states, which do not exist in all the previous quantum Hall systems and more importantly pose a realistic example of the higher-order topological matter. The experimental effort so far is in the Dirac semimetal Cd$_3$As$_2$, where however time-reversal symmetry leads to hinge states on both sides of the top/bottom surfaces, instead of the aspired one-sided hinge states. We …
Light-tunable quantum metric non-linear Hall response in Berry dipole semimetals
Centre for Nanotechnology, Indian Institute of Technology Roorkee（印度理工学院鲁尔基分校纳米技术中心）；Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore（印度科学学院固态与结构化学单元）
Using the tight-binding approach, we investigate the electronic properties of bilayer phosphorene (BLP) quantum dots (QDs) in the presence of perpendicular electric and magnetic fields. Since BLP consists of two coupled phosphorene layers, it is of interest to examine the layer-dependent electronic properties of BLP QDs, such as the electronic distributions over the two layers and the so-produced layer-polarization features, and to see how these properties are affected by the magnetic field and the bias potential. We find that in the absence of a bias potential only edge states are layer-polar…
The progress in exploiting new electronic materials and devices has been a major driving force in solid-state physics. As a new state of matter, a Weyl semimetal (WSM), particularly a type-II WSM, hosts Weyl fermions as emergent quasiparticles and may harbor novel electrical transport properties because of the exotic Fermi surface. Nevertheless, such a type-II WSM material has not been experimentally observed in nature. In this work, by performing systematic magneto-transport studies on thin films of a predicted material candidate WTe2, we observe notable angle-sensitive (between the electric …
2D materials with nontrivial energy bands are highly desirable for exploring various topological phases of matter, as low dimensionality opens unprecedented opportunities for manipulating the quantum states. Here, it is reported that monolayer (ML) dialkali-metal monoxides, in the well-known 2H-MoS$_2$ type lattice, host multiple symmetry-protected topological phases with emergent fermions, which can be effectively tuned by strain engineering. Based on first-principles calculations, it is found that in the equilibrium state, ML Na$_2$O is a 2D double Weyl semimetal, while ML K$_2$O is a 2D pse…
We propose a mechanism to directly measure the chiral anomaly in disorder Weyl semimetals (WSMs) by the Kondo effect. We find that in a magnetic and electric field driven WSM, the locations of the Kondo peaks can be modulated by the chiral chemical potential, which is proportional to $\mathbf{E}\cdot \mathbf{B}$. The Kondo peaks come from spin fluctuations within the impurities, which apart from the temperature, relate closely to the host's Fermi level. In WSMs, the chiral-anomaly-induced chirality population imbalance will shift the local Fermi levels of the paired Weyl valleys toward opposit…
Charge-neutral conducting systems represent a class of materials with unusual properties governed by electron-hole (e-h) interactions. Depending on the quasiparticles' statistics, band structure, and device geometry these semimetallic phases of matter can feature unconventional responses to external fields that often defy simple interpretations in terms of single-particle physics. Here we show that small-angle twisted bilayer graphene (SA-TBG) offers a highly-tunable system in which to explore interactions-limited electron conduction. By employing a dual-gated device architecture we tune our d…
We study exchange interaction in zigzag bilayer phosphorene nanoribbons (ZBLPNRs) under a perpendicular electric field. We evaluate the spatial and electric field dependency of static spin susceptibility in real space in various configurations of magnetic impurities at zero temperature. The electronic properties of ZBLPNR in the presence of a gate voltage is also obtained. In comparison to the other two-dimensional (2D) materials such as graphene and silicene, ZBLPNR has two nearly degenerated quasiflat edge modes at the Fermi level, isolated from the bulk states. The band gap modulation of ZB…
Intrinsic spin Hall conductivities are calculated for strong spin-orbit Bi$_{1-x}$Sb$_x$ semimetals, from the Kubo formula and using Berry curvatures evaluated throughout the Brillouin zone from a tight-binding Hamiltonian. Nearly-crossing bands with strong spin-orbit interaction generate giant spin Hall conductivities in these materials, ranging from 474 ($\hbar$/e)($Ω$cm)$^{-1}$ for bismuth to 96 ($\hbar$/e)($Ω$cm)$^{-1}$ for antimony; the value for bismuth is more than twice that of platinum. The large spin Hall conductivities persist for alloy compositions corresponding to a three-dimensio…
By means of high-resolution electron energy loss spectroscopy, we investigate the low-energy excitation spectrum of transition-metal monopnictides hosting Weyl fermions. We observe gapped plasmonic modes in (001)-oriented surfaces of single crystals of NbAs and TaAs at 66 and 68 meV, respectively. Our findings are consistent with theory and we estimate an effective Coulomb interaction strength $α_{\rm eff}\approx0.41$ for both samples. We also demonstrate that the modification of the surface of transition-metal monopnictides by the adsorption of chemical species (in our case, oxygen and hydroc…
Materials with triply-degenerate nodal points in their low-energy electronic spectrum produce crystalline-symmetry-enforced three-fold fermions, which conceptually lie between the two-fold Weyl and four-fold Dirac fermions. Here we show how a silver-based Dirac semimetal BaAgAs realizes three-fold fermions through our first-principles calculations combined with a low-energy effective $\mathbf{k.p}$ model Hamiltonian analysis. BaAgAs is shown to harbor triply-degenerate nodal points, which lie on its $C_{3}$ rotation axis, and are protected by the $C_{6v}$($C_2\otimes C_{3v}$) point-group symme…
Hydrogen, a simple and magic element, has attracted increasing attention for its effective incorporation within solids and powerful manipulation of electronic states. Here, we show that hydrogenation tackles common problems in two-dimensional borophene, e.g., stability and applicability. As a prominent example, a ladder-like boron hydride sheet, named as 2D ladder polyborane, achieves the desired outcome, enjoying the cleanest scenario with an anisotropic and tilted Dirac cone, that can be fully depicted by a minimal two-band tight-binding model. Introducing external fields, such as an electri…
Weyl semimetals have recently attracted extensive attention due to their anomalous band structure manifested by topological properties that lead to some unusual and unique physical properties. We investigate novel features of surface plasmon polaritons in a slot waveguide comprised from two semi-infinite Weyl semimetals. We consider symmetric Voigt-Voigt and Faraday-Faraday configurations for plasmon polaritons in two interfaces of waveguide and show that the resulting dispersion is symmetric and the propagation of surface plasmon polaritons is bidirectional. We introduce exotic and novel asym…
MESA+ Institute for Nanotechnology, University of Twente（特温特大学介观纳米技术研究所）；State Key Laboratory for Mesoscopic Physics and Frontiers Science Center for Nano-optoelectronics, School of Physics, Peking University（北京大学物理学院介观物理国家重点实验室与前沿纳米光电科学中心）
Even if Weyl semimetals are characterized by quasiparticles with well-defined chirality, exploiting this experimentally is severely hampered by Weyl lattice-fermions coming in pairs with opposite chirality, typically causing the net chirality picked up by experimental probes to vanish. Here we show this issue can be circumvented in a controlled manner when both time-reversal- and inversion- symmetry are broken. To this end, we investigate chirality-disbalance in the carbide family RMC$_2$ (R a rare-earth and M a transition metal), showing several members to be Weyl semimetals. Using the noncen…
Efficiently gate-tunable ferromagnetism in ferromagnetic semiconductor-Dirac semimetal p-n heterojunctions
Pennsylvania State University（宾夕法尼亚州立大学）；University of North Texas（北德克萨斯大学）；National Institution of Standards and Technology（国家标准与技术研究院）；Oak Ridge National Lab（橡树岭国家实验室）；Johns Hopkins University（约翰斯·霍普金斯大学）；University of Minnesota（明尼苏达大学）
We propose a new type of edges, arising due to the anisotropy inherent in the puckered structure of a honeycomb system such as in phosphorene. Skewed-zigzag and skewed-armchair nanoribbons are semiconducting and metallic, respectively, in contrast to their normal edge counterparts. Their band structures are tunable, and a metal-insulator transition is induced by an electric field. We predict a field-effect transistor based on the edge states in skewed-armchair nanoribbons, where the edge state is gapped by applying arbitrary small electric field $E_z$. A topological argument is presented, reve…
Electrostatic doping in materials can lead to various exciting electronic properties, such as metal-insulator transition and superconductivity, by altering the Fermi level position or introducing exotic phases. Cd3As2, a three-dimensional (3D) analog of graphene with extraordinary carrier mobility, was predicted to be a 3D Dirac semimetal, a feature confirmed by recent experiments. However, most research so far has been focused on metallic bulk materials that are known to possess ultra-high mobility and giant magnetoresistance but limited carrier transport tunability. Here, we report on the fi…
Magnetic semimetals have increasingly emerged as lucrative platforms hosting spin-based topological phenomena in real and momentum spaces. Of particular interest is the emergence of Berry curvature, whose geometric origin, accessibility from Hall transport experiments, and material tunability, bodes well for new physics and practical devices. Cr1+dTe2, a self-intercalated magnetic transition metal dichalcogenide, TMD, exhibits attractive natural attributes relevant to such applications, including topological magnetism, tunable electron filling, magnetic frustration etc. While recent studies ha…
In this work, we describe a toolbox to realize and probe synthetic axial gauge fields in engineered Weyl semimetals. These synthetic electromagnetic fields, which are sensitive to the chirality associated with Weyl nodes, emerge due to spatially and temporally dependent shifts of the corresponding Weyl momenta. First, we introduce two realistic models, inspired by recent cold-atom developments, which are particularly suitable for the exploration of these synthetic axial gauge fields. Second, we describe how to realize and measure the effects of such axial fields through center-of-mass observab…
