Graphene and phosphorene are monolayer of graphite and phosphorous, respectively. Graphene is completely relativistic (Dirac) fermionic system, but phosphorene is pseudorelativistic fermionic system. In phosphorene, electronic spectrum of phosphorene has a Dirac like (linear) band in one direction and Schrodinger like (parabolic) band in other direction. Conventional Rabi oscillations are studied by using rotating wave approximation in resonance case. The Floquet theory is an alternative way of study Rabi oscillations in off-resonance case and dominating in case of low energy physics. In this article, the nonlinear optical response of graphene and phosphorene studied under intense applied quantized electromagnetic field via Floquet theory. The Bloch-Siegert shift is observed for graphene and phosphorene. A numerical model is applied for justifying the role of anisotropy in phosphorene. Therefore, the Floquet theory can be utilized to characterize the different fermionic systems.
Starting from the rigorous quantum-field-theory formalism we derive a formula for the screened conductivity designed to study the coupling of light with elementary electron excitations and the ensuing electromagnatic modes in two-dimensional (2D) semiconductors. The latter physical quantity consists of three fully separable parts, namely intraband, interband, and ladder conducivities, and is calculated beyond the random phase approximation as well as from first principles. By using this methodology, we study the optical absorption spectra in 2D black phosphorous, so-called phosphorene, as a fu…
We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.
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…
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 …
We perform a comprehensive first-principles study of the electronic properties of phosphorene nanoribbons, phosphorene nanotubes, multilayer phosphorene, and heterobilayers of phosphorene and two-dimensional (2D) transition metal dichalcogenide (TMDC) monolayer. The tensile strain and electric-field effects on electronic properties of low-dimensional phosphorene nanostructures are also investigated. Our calculations show that zigzag phosphorene nanoribbons (z-PNRs) are metals, regardless of the ribbon width while armchair phosphorene nanoribbons (a-PNRs) are semiconductors with indirect bandga…
Two-dimensional dilute magnetic semiconductors can provide fundamental insights in the very nature of magnetic orders and their manipulation through electron and hole doping. Despite the fundamental physics, due to the large charge density control capability in these materials, they can be extremely important in spintronics applications such as spin valve and spin-based transistors. In this article, we studied a two-dimensional dilute magnetic semiconductors consisting of phosphorene monolayer doped with cobalt atoms in substitutional and interstitial defects. We show that these defects can be…
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 …
We perform systematic investigation on the geometric, energetic and electronic properties of group IV-VI binary monolayers (XY), which are the counterparts of phosphorene, by employing density functional theory based electronic structure calculations. For this purpose, we choose the binary systems XY consisting of equal numbers of group IV (X = C, Si, Ge, Sn) and group VI elements (Y = O, S, Se, Te) in three geometrical configurations, the puckered, buckled and planar structures. The results of binding energy calculations show that all the binary systems studied are energetically stable. It is…
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…
Phosphorene is a unique single elemental semiconductor with two-dimensional layered structures. In this letter, we study the transistor behavior on mechanically exfoliated few-layer phosphorene with the top-gate. We achieve a high on-current of 144 mA/mm and hole mobility of 95.6 cm2/Vs. We deposit Al2O3 by atomic layer deposition (ALD) and study the effects of dielectric capping. We observe that the polarity of the transistors alternated from p-type to ambipolar with Al2O3 grown on the top. We attribute this transition to the changes for the effective Schottky barrier heights for both electro…
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…
Band crossings observed in a wide range of condensed matter systems are recognized as a key to understand low-energy fermionic excitations that behave as massless Dirac particles. Despite rapid progress in this field, the exploration of non-equilibrium topological states remains scarce and it has potential ability of providing a new platform to create unexpected massless Dirac states. Here we show that in a semiconductor quantum-well driven by a cw-laser with linear polarization, the optical Stark effect conducts bulk-band crossing, and the resulting Floquet-Dirac semimetallic phase supports a…
In this work, we present a systematic first-principles density-functional theory based study of geometry, electronic structure, and optical properties of armchair phosphorene nanoribbons (APNRs), with the aim of understanding the influence of edge passivation. Ribbons of width ranging from 0.33 nm to 3.8 nm were considered, with their edges functionalized with the groups H, OH, F, Cl, S, and Se. The geometries of various APNRs were optimized, and the stability was checked by calculating their formation energies. Using the relaxed geometries, calculations of their band structure and optical pro…
We propose and model Floquet topological polaritons in semiconductor microcavities, using the interference of frequency detuned coherent fields to provide a time periodic potential. For arbitrarily weak field strength, where the Floquet frequency is larger than the relevant bandwidth of the system, a Chern insulator is obtained. As the field strength is increased, a topological phase transition is observed with an unpaired Dirac cone proclaiming the anomalous Floquet topological insulator. As the relevant bandwidth increases even further, an exotic Chern insulator with flat band is observed wi…
We study steady-states of semiconductor nanowires subjected to strong resonant time-periodic drives. The steady-states arise from the balance between electron-phonon scattering, electron-hole recombination via photo-emission, and Auger scattering processes. We show that tuning the strength of the driving field drives a transition between an electron-hole metal (EHM) phase and a Floquet insulator (FI) phase. We study the critical point controlling this transition. The EHM-to-FI transition can be observed by monitoring the presence of peaks in the density-density response function which are asso…
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…
We perform a systematic first-principles study of phosphorene in the presence of typical monovalent (hydrogen, fluorine) and divalent (oxygen) impurities. The results of our modeling suggest a decomposition of phosphorene into weakly bonded one-dimensional (1D) chains upon single- and double-side hydrogenation and fluorination. In spite of a sizable quasiparticle band gap (2.29 eV), fully hydrogenated phosphorene found to be dynamically unstable. In contrast, full fluorination of phosphorene gives rise to a stable structure, being an indirect gap semiconductor with the band gap of 2.27 eV. We …
Within the Floquet theory of periodically driven quantum systems, we demonstrate that a high-frequency electromagnetic field can be used as an effective tool to control excitonic properties of semiconductor quantum dots (QDs). It is shown, particularly, that the field both decreases the exciton binding energy and dynamically stabilizes the exciton, increasing its radiative lifetime. The developed theory can serve as a basis for the ultrafast method to tune spectral characteristics of the QD-based photon emitters by a high-frequency field.
Calculating the quasiparticle (QP) band structure of two-dimensional (2D) materials within the GW self-energy approximation has proven to be a rather demanding computational task. The main reason is the strong $\mathbf{q}$-dependence of the 2D dielectric function around $\mathbf{q} = \mathbf{0}$ that calls for a much denser sampling of the Brillouin zone than is necessary for similar 3D solids. Here we use an analytical expression for the small $\mathbf{q}$-limit of the 2D response function to perform the BZ integral over the critical region around $\mathbf{q} = \mathbf{0}$. This drastically r…
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…
Single layer (SL) phosphorus (phosphorene) has drawn considerable research attention recently as a two-dimensional (2D) material for application promises. It is a semiconductor showing superior transport and optical properties. Few-layer or SL black phosphorus has been successfully isolated by exfoliation from bulk crystals and extensively studied thereof for its electronic and optical properties. Blue phosphorus (blueP), an allotrope of black phosphorus where atoms are arranged in a more flat atomic configuration, has been recently suggested by theory to exist in the SL form on some substrate…
Spatially uniform excitations can induce Floquet topological bandstructures within insulators which have equal characteristics to those of topological insulators. Going beyond we demonstrate in this article the evolution of Floquet topological quantum states for electromagnetically driven semiconductor bulk matter. We show the direct physical impact of the mathematical precision of the Floquet-Keldysh theory when we solve the driven system of a generalized Hubbard model with our framework of dynamical mean field theory (DMFT) in the non-equilibrium. We explain the physical consequences of the …
Armchair phosphorene nanoribbons (APNRs) are known to be semiconductors with an indirect bandgap. Here, we propose to introduce new states in the gap of APNRs by creating a periodic structure of vacancies (antidots). Based on the tight-binding model, we show that a periodic array of vacancies or nanopores leads to the formation of an impurity band inside the gap region. We first present an analytical expression for the dispersion relation of an impurity band induced by hybridization of bound states associated with each single vacancy defect. Then, we increase the size of vacancy defects to inc…
Today, 2D semiconductor materials have been extended into the nitrogen group: phosphorene, arsenene, antimonene and even nitrogene. Motivated by them, based upon first-principles density functional calculations, we propose a new two-dimensional phosphorus nitride (PN) structure that is stable well above the room temperature, due to its extremely high cohesive energy. Unlike phosphorene, PN structure is resistant to high temperature oxidation. The structure is predicted to be a semiconductor with a wide, indirect band gap of 2.64 eV. More interestingly, the phosphorus nitride monolayer experien…
In analogy to III-V compounds, which have significantly broadened the scope of group IV semiconductors, we propose IV-VI compounds as isoelectronic counterparts to layered group V semiconductors. Using {\em ab initio} density functional theory, we study yet unrealized structural phases of silicon mono-sulfide (SiS). We find the black-phosphorus-like $α$-SiS to be almost equally stable as the blue-phosphorus-like $β$-SiS. Both $α$-SiS and $β$-SiS monolayers display a significant, indirect band gap that depends sensitively on the in-layer strain. Unlike 2D semiconductors of group V elements with…
Spatially uniform optical excitations can induce Floquet topological band structures within insulators which can develop similar or equal characteristics as are known from three-dimensional topological insulators. We derive in this article theoretically the development of Floquet topological quantum states for electromagnetically driven semiconductor bulk matter and we present results for the lifetime of these states and their occupation in the non-equilibrium. The direct physical impact of the mathematical precision of the Floquet-Keldysh theory is evident when we solve the driven system of a…
Phosphorene, a single layer of black phosphorus, is a direct-band gap two-dimensional semiconductor with promising charge and spin transport properties. The electronic band structure of phosphorene is strongly affected by the structural anisotropy of the underlying crystal lattice. We describe the relevant conduction and valence bands close to the $Γ$ point by four- and six-band (with spin) $k \cdot p$ models, including the previously overlooked interband spin-orbit coupling which is essential for studying anisotropic crystals. All the $k \cdot p$ parameters are obtained by a robust fit to {\i…
In recent years, single element two-dimensional atom crystal materials have aroused extensive interest in many applications. Blue phosphorus, successfully synthesized on Au substrate by molecular beam epitaxy not long ago, shows unusual geometrical and electronic structures. We investigate the electronic structures and transport properties of zigzag blue phosphorene nanoribbons by using a first-principles method, which can be obviously tuned via different groups passivation on the both edges. The ZBPNRs-H and ZBPNRs-OH present a wide gap semiconductor property. While the ZBPNRs-O are metallic.…
Floquet engineering of topological bands in semiconductor van der Waals heterobilayers
Universidad Nacional Autónoma de México（墨西哥国立自治大学）；Universidad Distrital Francisco José de Caldas（弗朗西斯科·何塞·德卡尔德斯地区大学）；Kennesaw State University（肯尼索州立大学）
Time-resolved, angle-resolved photoemission spectroscopy (TR-ARPES) is a one-particle spectroscopic technique that can probe excitons (two-particle excitations) in momentum space. We present an ab initio, time-domain GW approach to TR-ARPES and apply it to monolayer MoS$_2$. We show that photoexcited excitons may be measured and quantified as satellite bands, as well as leading to the renormalization of the quasiparticle bands. These features are explained in terms of an exciton- Floquet phenomenon induced by an exciton time-dependent bosonic field, which is orders of magnitude stronger than l…
We develop a theoretical background to treat exciton states of semiconductor single-walled carbon nanotubes (SWCNTs) in presence of a periodic potential induced by the surface acoustic wave (SAW) propagating along semiconducting SWCNT. The formalism naturally accounts for the electronic bands splitting into the Floquet sub-bands brought about by the Bragg scattering on the SAW potential. Optically induced transitions within the Floquet states and formation of correlated electron-hole pairs, i.e., exciton states, are examined numerically. We discuss dynamical formation of new van Hove singulari…
We developed the theory of dipolaritons in semiconductor quantum wells irradiated by an off-resonant electromagnetic wave (dressing field). Solving the Floquet problem for the dressed dipolaritons, we demonstrated that the field drastically modifies all dipolaritonic properties. In particular, the dressing field strongly effects on terahertz emission from the considered system. The described effect paves the way for optical control of prospective dipolariton-based terahertz devices.
Within the Floquet theory of periodically driven quantum systems, we developed the theory of light-induced modification of electronic states in semiconductor materials described by the Luttinger Hamiltonian (the electronic term $Γ_8$). Particularly, exact solutions of the Floquet problem are found for the band edge in the cases of linearly and circularly polarized irradiation. It is shown that the irradiation changes electron effective masses near the band edge, induces anisotropy of the electron dispersion and splits the bands. It is demonstrated that the light-induced band splitting strongly…
Two-dimensional gapped semi-Dirac (GSD) materials are systems with a finite band gap that their charge carriers behave relativistically in one direction and Schrödinger-like in the other. In the present work, we show that besides the two well-known energy bands features (curvature and chirality), the band-gap parameter also play a crucial role in the index- and magnetic field-dependence of the Landau levels (LLs) in a GSD system. We take the monolayer phosphorene as a GSD representative example to explicitly provide physical insights into the role of this parameter in determining the index- an…
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 …
In this minireview, we explore the main features and the prospect of plasmonics with two-dimensional semiconductors. Plasmonic modes in each class of van der Waals semiconductors have their own peculiarities, along with potential technological capabilities. Plasmons of transition-metal dichalcogenides share features typical of graphene, due to their honeycomb structure, but with damping processes dominated by intraband rather than interband transitions, unlike graphene. Spin-orbit coupling strongly affects the plasmonic spectrum of buckled honeycomb lattices (silicene and germanene), while the…
Strain-Induced Tuning of Third-Harmonic Generation in Monolayer Black Phosphorene
University of Science and Technology Beijing（北京科技大学）；Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences（中国科学院长春光学精密机械与物理研究所）；Zhengzhou University（郑州大学）
Applying the Floquet theory, we developed the method to control excitonic properties of semiconductor quantum wells by a high-frequency electromagnetic field. It is demonstrated, particularly, that the field induces the blue shift of exciton emission from the quantum wells and narrows width of the corresponding spectral line. As a consequence, the field strongly modifies optical properties of the quantum wells and, therefore, can be used to tune characteristics of the optoelectronic devices based on them.
We present Floquet-Keldysh non-equilibrium dynamical mean field calculations (DMFT) with an iterative perturbative solver (IPT) for high pump-power induced Stark states yielding a closing gap within semiconductor bulk and nano-cavities. Our model predicts unusual broadening of bands in systems like ZnO random lasers. This can be explained as an exciton-polariton coupling within the single crystalline pillar meeting the Mie resonance condition. Extraordinary enhancement of the lifetime of electronic states within the gap can lead to stable lasing modes and gain narrowing.
Two-dimensional (2D) semiconductors isoelectronic to phosphorene has been drawing much attention recently due to their promising applications for next-generation (opt)electronics. This family of 2D materials contains more than 400 members, including (a) elemental group-V materials, (b) binary III-VII and IV-VI compounds, (c) ternary III-VI-VII and IV-V-VII compounds, making materials design with targeted functionality unprecedentedly rich and extremely challenging. To shed light on rational functionality design with this family of materials, we systemically explore their fundamental band gaps …
