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 magnitude in the optical absorption spectrum. Our findings should be useful in building phosphorene optical and (opto)electronic devices by applying external potential superlattice.
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…
Ballistic transport characteristics of metal-oxide semiconductor field effect transistors (MOSFETs) based on anisotropic two-dimensional (2-D) materials monolayer HfS2 and phosphorene are explored through quantum transport simulations. We focus on the effects of the channel crystal orientation and the channel length scaling on device performances. Especially, the role of degenerate conduction band (CB) valleys in monolayer HfS2 is comprehensively analyzed. Benchmarking monolayer HfS2 with phosphorene MOSFETs, we predict that the effect of channel orientation on device performances is much weak…
Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the BEC regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to $\sim 90$ K with onset carrier densities as high as $4 \times 10^{12}$ cm$^{-2}$. This transition temperature is significantly larger than what is found in double electron-hole few-layers of g…
We have analyzed the effects of the anisotropic energy bands of phosphorene on magnetoroton branches for electrons and holes in the two Landau levels close to the band edges. We have found that the fractional quantum Hall effect gap in the lowest (highest) Landau level in conduction (valance) band is slightly larger than that for conventional semiconductor systems and therefore experimentally observable. We also found that the magnetoroton mode for both electrons and holes consists of two branches with two minima due to the anisotropy. Additionally, we show that due to the anisotropy, there is…
In this work we develop a compact multi-orbital tight-binding model for phosphorene that accurately describes states near the main band gap. The model parameters are adjusted using as reference the band structure obtained by a density-functional theory calculation with the hybrid HSE06 functional. We use the optimized tight-binding model to study the effects of disorder on the anisotropic transport properties of phosphorene. In particular, we evaluate how the longitudinal resistivity depends on the lattice orientation for two typical disorder models: dilute scatterers with high potential fluct…
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…
We investigate the anisotropic hybrid plasmon-SO phonon dispersion relations in monolayer and double-layer phosphorene systems located on the polar substrates, such as SiO2, h-BN and Al2O3. We calculate these hybrid modes with using the dynamical dielectric function in the RPA by considering the electron-electron interaction and long-range electric field generated by the substrate SO phonons via Frohlich interaction. In the long-wavelength limit, we obtain some analytical expressions for the hybrid plasmon-SO phonon dispersion relations which represent the behavior of these modes akin to the m…
The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the monolayer and bilayer structures. The analysis clearly elucidates the crystal orientation dependence manifested through the anisotropic band structure and the carrier-phonon scattering rates. In the monolayer, the hole mobility in the armchair direction is estimated to be approximately five times larger than in the zigzag direction at room temperature (460 cm$^…
We study the eigenenergies and optical properties of both direct excitons in a phosphorene monolayer in different dielectric environments, and indirect excitons in heterostructures of phosphorene with hexagonal boron nitride. For these systems, we solve the 2D Schrödinger equation using the Rytova-Keldysh (RK) potential for direct, and both the RK and Coulomb potentials for indirect excitons. The results show that excitons formed from charge carriers with anisotropic effective mass exhibit enhanced (suppressed) optical absorption, compared to their 2D isotropic counterparts, under linearly pol…
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…
The room temperature carrier mobility in atomically thin 2D materials is usually far below the intrinsic limit imposed by phonon scattering as a result of scattering by remote charged impurities in its environment. We simulate the charged impurity-limited carrier mobility $μ$ in bare and encapsulated monolayer phosphorene. We find a significant temperature dependence in the carrier mobilities ($μ\propto T^{-γ}$) that results from the temperature variability of the charge screening and varies with the crystal orientation. The anisotropy in the effective mass leads to an anisotropic carrier mobi…
Newly fabricated monolayer phosphorene and its few-layer structures are expected to be promising for electronic and optical applications because of their finite direct band gaps and sizable but anisotropic electronic mobility. By first-principles simulations, we show that this unique anisotropic conductance can be controlled by using simple strain conditions. With the appropriate biaxial or uniaxial strain, we can rotate the preferred conducting direction by 90 degrees. This will be of useful for exploring quantum Hall effects, and exotic electronic and mechanical applications based on phospho…
We present a theoretical study of the exciton binding energy for anisotropic two-dimensional crystals. We obtain analytical expressions from variational wave functions in different limits of the screening length to exciton size ratio and compare them with numerical solutions, both variational and exact. As an example, we apply these results to phosphorene, a monolayer of black phosphorous. Aided by density functional theory calculations for the evaluation of the two-dimensional polarizability, our analytical solution for the exciton binding energy gives a result which is very close to the nume…
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 …
We theoretically study the Coulomb drag resistivity in a double-layer electron system with highly anisotropic parabolic band structure using Boltzmann transport theory. As an example, we consider a double-layer phosphorene on which we apply our formalism. This approach, in principle, can be tuned for other double-layered systems with paraboloidal band structures. Our calculations show the rotation of one layer with respect to another layer can be considered a way of controlling the drag resistivity in such systems. As a result of rotation, the off-diagonal elements of drag resistivity tensor h…
Moiré superlattices of van der Waals heterostructures provide a powerful new way to engineer the electronic structures of two-dimensional (2D) materials. Many novel quantum phenomena have emerged in different moiré heterostructures, such as correlated insulators, superconductors, and Chern insulators in graphene systems and moiré excitons in transition metal dichalcogenide (TMDC) systems. Twisted phosphorene offers another attractive system to explore moiré physics because phosphorene features an anisotropic rectangular lattice, different from the isotropic hexagonal lattice in graphene and TM…
We study transport properties of a phosphorene monolayer in the presence of single and multiple potential barriers of height $U_0$ and width $d$, using both continuum and microscopic lattice models, and show that the nature of electron transport along its armchair edge ($x$ direction) is qualitatively different from its counterpart in both conventional two-dimensional electron gas with Schrödinger-like quasiparticles and graphene or surfaces of topological insulators hosting massless Dirac quasiparticles. We show that the transport, mediated by massive Dirac electrons, allows one to achieve co…
The anisotropy in resonant tunneling transport through an electrostatic barrier in mono layer black phosphorus either in presence or in absence of an oscillating potential is studied. Non-perturbative Floquet theory is applied to solve the time dependent problem and the results obtained are discussed thoroughly. The resonance spectra in field free transmission are Lorentzian in nature although the width of the resonance for the barrier along the zigzag direction is too thinner than that for the armchair one. Resonant transmission is suppressed for both the cases by the application of oscillati…
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…
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…
In this article, we explore the anisotropic electron energy loss spectrum (EELS) in monolayer phosphorene based on ab-initio time dependent density functional theory calculations. Similar to black phosphorous, the EELS of undoped monolayer phosphorene is characterized by anisotropic excitonic peaks for energies in vicinity of the bandgap, and by interband plasmon peaks for higher energies. On doping, an additional intraband plasmon peak also appears for energies within the bandgap. Similar to other two dimensional systems, the intraband plasmon peak disperses as $ω_{\rm pl} \propto \sqrt{q}$ i…
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 Landau levels (LLs) and magneto-transport properties of phosphorene under a perpendicular magnetic field within the framework of the effective \textbf{\emph{k$\cdot$p}} Hamiltonian and tight-binding (TB) model. At low field regime, we find that the LLs linearly depend both on the LL index $n$ and magnetic field $B$, which is similar with that of conventional semiconductor two-dimensional electron gas. The Landau splittings of conduction and valence band are different and the wavefunctions corresponding to the LLs are strongly anisotropic due to the different an…
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 …
The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge density wave state is induced through the assumption of negative compressibility of electron/hole gases in a Coulomb drag configuration between the electron and hole sheets. Under equilibrium conditions, we derive analytical expressions for the density oscillation along the zigzag and armchair directions. We find that the density modulation not only depends on the sign of the compressibility but…
In this work, device performances of tunneling field effect transistors (TFETs) based on phosphorene are explored via self-consistent atomistic quantum transport simulations. Phosphorene is an ultra-thin two-dimensional (2-D) material with a direct band gap suitable for TFETs applications. Our simulation shows that phosphorene TFETs exhibit subthreshold slope (SS) below 60 mV/dec and a wide range of on-current depending on the transport direction due to highly anisotropic band structures of phosphorene. By benchmarking with monolayer MoTe2 TFETs, we predict that phosphorene TFETs oriented in t…
We compute binding energies, Stark shifts, electric-field-induced dissociation rates, and the Franz-Keldysh effect for excitons in phosphorene in various dielectric surroundings. All three effects show a pronounced dependence on the direction of the in-plane electric field, with the dissociation rates in particular decreasing by several orders of magnitude upon rotating the electric field from the armchair to the zigzag axis. To better understand the numerical dissociation rates, we derive an analytical approximation to the anisotropic rates induced by weak electric fields, thereby generalizin…
Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasi-particle gap and anisotropic conduction and valence bands. Trions are predicted to have remarkably high binding energies and an elongated electron-hole structure with a preference for alignment along the armchair direction, where the effective masses are lower. We find that biexciton binding energies are also notably large, especially for monolayer phosphorene, where they…
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…
In this work we briefly review the studies of the optical constants of monolayer transition metal dichalcogenides and few layer black phosphorus, with particular emphasis to the complex dielectric function and refractive index. Specifically, we give an estimate of the complex index of refraction of phosphorene and few-layer black phosphorus. We extracted the complex index of refraction of this material from differential reflectance data reported in literature by employing a constrained Kramers-Kronig analysis. Finally, we studied the linear optical response of multilayer systems embedding phos…
We investigate theoretically the effects of modulated periodic perpendicular magnetic fields on the electronic states and optical absorption spectrum in a monolayer black phosphorus (phosphorene). We demonstrate that different phosphorene magnetic superlattice (PMS) orientations can give rise to distinct energy spectra, i.e., tuning the intrinsic electronic anisotropy. The Rashba spin-orbit coupling (RSOC) will develop a spin-splitting energy dispersion in this phosphorene magnetic supperlattice. Anisotropic momentum-dependent carrier distributions along/perpendicular to the magnetic strips ar…
Recent $\textit{ab initio}$ theoretical calculations of the electrical performance of several two-dimensional materials predict a low-field carrier mobility that spans several orders of magnitude (from 26,000 to 35 cm$^{2}$ V$^{-1}$ s$^{-1}$, for example, for the hole mobility in monolayer phosphorene) depending on the physical approximations used. Given this state of uncertainty, we review critically the physical models employed, considering phosphorene, a group V material, as a specific example. We argue that the use of the most accurate models results in a calculated performance that is at …
In this work we introduce a low-energy Hamiltonian for single layer and bilayer black phosphorus that describes the electronic states at the vicinity of the gamma point. The model is based on a recently proposed tight-binding description for electron and hole bands close to the Fermi level. We calculate expressions for the Landau level spectrum as function of magnetic field and in the case of bilayer black phosphorus we investigate the effect of an external bias on the electronic band gap. The results showcase the highly anisotropic character of black phosphorus and in particular for bilayer B…
We theoretically study the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in two-dimensional black phosphorus, phosphorene. The RKKY interaction enhances significantly for the low levels of hole doping owing to the nearly valence flat band. Remarkably, for the hole-doped phosphorene, the highest RKKY interaction occurs when two impurities are located along the zigzag direction and it tends to a minimum value with changing the direction from the zigzag to the armchair direction. We show that the interaction is highly anisotropic and the magnetic ground-state of two magnetic adatoms can be tun…
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities, as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular {\it interband} oscillations as functions of the frequency $ω$ in the range $\hsla…
We theoretically investigate the electronic and magneto-optical properties of rectangular, hexangular, and triangular monolayer phosphorene quantum dots (MPQDs) utilizing the tight-binding method. The electronic states, density of states, electronic density distribution, and Laudau levels as well as the optical absorption spectrum are calculated numerically. Our calculations show that: (1) edge states appear in the band gap in all kinds of MPQDs regardless of their shapes and edge configurations due to the anisotropic electron hopping in monolayer phosphorene (MLP). Electrons in any edge state…
Transition metal dichalcogenides (TMDCs) have recently shown much promise as thin layer semiconductors in application to transistor technology. TMDCs provide a unique vantage point for studying the properties of phosphorene, a highly efficient and tunable super-material. Phosphorene-TMDC heterostructure nanodevices have remained largely unexplored due to the lack of air stability observed in phosphorene under ambient conditions. This study investigates a novel nanofabrication technique that effectively enhances the air stability and practical scalability of graphene-analogous phosphorene. A ph…
Monolayer and few-layer phosphorene are anisotropic quasi-two-dimensional (quasi-2D) van der Waals (vdW) semiconductors with a linear-dichroic light-matter interaction and a widely-tunable direct-band gap in the infrared frequency range. Despite recent theoretical predictions of strongly-bound excitons with unique properties, it remains experimentally challenging to probe the excitonic quasiparticles due to the severe oxidation during device fabrication. In this study, we report observation of strongly-bound excitons and trions with highly-anisotropic optical properties in intrinsic bilayer ph…
We study the anisotropic electronic properties of 2D SnS, an analogue of phosphorene, grown by physical vapor transport. With transmission electron microscope and polarized Raman spectroscopy, we identify the zigzag and armchair directions of the as-grown 2D crystals. 2D SnS field-effect transistors with a cross-Hall-bar structure are fabricated. They show heavily hole-doped (~10$^{19}$ cm$^{-3}$) conductivity with strong in-plane anisotropy. At room temperature the mobility along the zigzag direction exceeds 20 cm$^{2}$V$^{-1}$s$^{-1}$, which can be up to 1.7 times of that in the armchair dir…
We report the quasiparticle band gap, excitons, and highly anisotropic optical responses of few-layer black phosphorous (phosphorene). It is shown that these new materials exhibit unique many-electron effects; the electronic structures are dispersive essentially along one dimension, leading to particularly enhanced self-energy corrections and excitonic effects. Additionally, within a wide energy range, including infrared light and part of visible light, few-layer black phosphorous absorbs light polarized along the structure's armchair direction and is transparent to light polarized along the z…
The excitonic behavior of anisotropic two-dimensional crystals is investigated using numerical methods. We employ a screened potential arising due to the system polarizability to solve the central-potential problem using the Numerov approach. The dependence of the exciton energies on the interaction strength and mass anisotropy is demonstrated. We use our results to obtain the exciton binding energy in phosphorene as a function of the substrate dielectric constant.
We study the transport properties of charge carriers in phosphorene with a mass term through double barriers. The solutions of the energy spectrum are obtained and the dependence of the eigenvalues on the barrier potentials and wave vectors in the $x$-direction is numerically computed. Using the boundary conditions together with the matrix transfer method, we determine transmission and the conductance of our system. These two quantities are analyzed by studying their main characteristics as a function of the physical parameters along the armchair direction. Our results show the highly anisotro…
In this study, we investigate the cyclotron resonance effect in the first-order AC current, magnetic ratchet effect, and second harmonic generation in phosphorene in the presence of a steady tilted magnetic field and under THz laser radiation. We establish that various cyclotron resonances exist in the deduced currents based on the angular frequency of the incoming light. These resonances are dependent on the $ω_{c_{+}}$ value, a function of the carrier charge, the perpendicular magnetic field, and the effective masses along the armchair or zigzag edges. We discuss the direction and the magnit…
We systematically explore chemical functionalization of monolayer black phosphorene via chemisorption of oxygen and fluorine atoms. Using the cluster expansion technique, with vary- ing concentration of the adsorbate, we determine the ground states considering both single- as well as double- side chemisorption, which have novel chemical and electronic properties. The nature of the bandgap depends on the concentration of the adsorbate: for fluorination the direct bandgap first decreases, and then increases while becoming indirect, with increasing fluorination, while for oxidation the bandgap fi…
We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer and double-layer phosphorene structures in the long-wavelength limit within the linear elasticity theory. In the low energy limit, these effects can be modeled through the change in the curvature of the anisotropic energy band along the armchair and zigzag directions. We derive analytical relations for the plasmon modes under uniaxial strain and show that the direction of the applied strain is important. Moreover, we observe that along the armchair direction, the changes of the plasmon …
Motivated by the recent emergence of a new class of anisotropic 2D materials, we examine their electromagnetic modes and demonstrate that a broad class of the materials can host highly directional hyperbolic plasmons. Their propagation direction can be manipulated on-the-spot by gate doping, enabling hyperbolic beams reflection, refraction and bending. The realization of these natural 2D hyperbolic media opens up a new avenue in dynamic control of hyperbolic plasmons not possible in the 3D version.
We investigate spin-charge conversion phenomena in hybrid structures of topological insulator (TI) thin films and magnetic insulators. We find an anisotropic inverse spin-galvanic effect (ISGE) that yields a highly tunable spin-orbit torque (SOT). Concentrating on the quasiballistic limit, we also predict a giant anisotropic magnetoresistance (AMR) at low dopings. These effects, which have no counterparts in thick TIs, depend on the simultaneous presence of the hybridization between the surface states and the in-plane magnetization. Both the ISGE and AMR exhibit a strong dependence on the magn…
First principles density-functional theory calculations were performed to investigate quantum confinement and edge effects on the electronic properties of zigzag green phosphorene nanoribbons (ZGPNRs) with edge chemical species including H, OH, F, Cl, O, and S for the ribbons width in the range of 0.5 \~{} 3.7 nm. The ZGPNRs were obtained from the relaxed two-dimensional (2D) green phosphorene monolayer with different cutting strategies and the most energetically favorable ribbon configuration was selected for further exploration of the size and edge effects. It was found that the electronic p…
Atomically thin black phosphorus (BP) is a promising two-dimensional material for fabricating electronic and optoelectronic nano-devices with high mobility and tunable bandgap structures. However, the charge-carrier mobility in few-layer phosphorene (monolayer BP) is mainly limited by the presence of impurity and disorders. In this study, we demonstrate that vertical BP heterostructure devices offer great advantages in probing the electron states of monolayer and few-layer phosphorene at temperatures down to 2 K through capacitance spectroscopy. Electronic states in the conduction and valence …
In crystals, the duplication of atoms often follows different periodicity along different directions. It thus gives rise to the so called anisotropy, which is usually even more pronounced in two dimensional (2D) materials due to the absence of $\textbf{z}$ dimension. Indeed, in the emerging 2D materials, electrical anisotropy has been one of the focuses in recent experimental efforts. However, key understandings of the in-plane anisotropic resistance in low-symmetry 2D materials, as well as demonstrations of model devices taking advantage of it, have proven difficult. Here, we show that, in fe…
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 report about the energy and momentum resolved optical response of black phosphorus (BP) in its bulk form. Along the armchair direction of the puckered layers we find a highly dispersive mode that is trongly suppressed in the perpendicular (zig-zag) direction. This mode emerges out of the single-particle continuum for finite values of momentum and is therefore interpreted as an exciton. We argue that this exciton, which has already been predicted theoretically for phosphorene -- the monolayer form of BP -- can be detected by conventional optical spectroscopy in the two-dimensional case and m…
The extraordinary properties and the novel applications of black phosphorene induce the research interest on the monolayer group-IV monochalcogenides. Here using the first-principles calculations, we systematically investigate the electronic, transport and optical properties of monolayer $α-$ and $β-$GeSe, the latter of which was recently experimentally realized. We found that, monolayer $α-$GeSe is a semiconductor with direct band gap of 1.6 eV, and $β-$GeSe displays indirect semiconductor with the gap of 2.47 eV, respectively. For monolayer $β-$GeSe, the electronic/hole transport is anisotro…
We show that anisotropic energy of a 2D antiferromagnet is greatly enhanced via stacking on a magnetic substrate layer, arising from the sublattice-dependent interlayer magnetic interaction that defines an effective anisotropic energy. Interestingly, this effective energy couples strongly with the interlayer stacking order and the magnetic order of the substrate layer, providing unique mechanical and magnetic means to control the antiferromagnetic order. These two types of control methods affect distinctly the sublattice magnetization dynamics, with a change of the ratio of sublattice precessi…
