Integration of transition metal dichalcogenides (TMDs) on ferromagnetic materials (FM) may yield fascinating physics and promise for electronics and spintronic applications. In this work, high-temperature anomalous Hall effect (AHE) in the TMD ZrTe2 thin film using heterostructure approach by depositing it on ferrimagnetic insulator YIG (Y3Fe5O12, yttrium iron garnet) is demonstrated. In this heterostructure, significant anomalous Hall effect can be observed at temperatures up to at least 400 K, which is a record high temperature for the observation of AHE in TMDs, and the large RAHE is more than one order of magnitude larger than those previously reported value in topological insulators or TMDs based heterostructures. The magnetization of interfacial reaction-induced ZrO2 between YIG and ZrTe2 is believed to play a crucial role for the induced high-temperature anomalous Hall effect in the ZrTe2. These results reveal a promising system for the room-temperature spintronic device applications, and it may also open a new avenue toward introducing magnetism to TMDs and exploring the quantum AHE at higher temperatures considering the prediction of nontrivial topology in ZrTe2.
We evaluate the tunneling short-circuit current density $J_{TU}$ in a $p$-$i$-$n$ solar cell in which the transition metal dichalcogenide heterostructure (MoS$_2$/WS$_2$ superlattice) is embedded in the intrinsic $i$ region. The effects of varying well and barrier widths, Fermi energy levels and number of quantum wells in the $i$ region on $J_{TU}$ are examined. A similar analysis is performed for the thermionic current $J_{TH}$ that arises due to the escape and recapture of charge carriers between adjacent potential wells in the $i$-region. The interplay between $J_{TU}$ and $J_{TH}$ in the t…
Molecular dynamics simulations are performed to investigate the misfit strain-induced buckling of the transition-metal dichalcogenide (TMD) lateral heterostructures, denoted by the seamless epitaxial growth of different TMDs along the in-plane direction. The Stillinger-Weber potential is utilized to describe both the interaction for each TMD and the coupling between different TMDs, i.e., MX2 (with M=Mo, W and X=S, Se, Te). It is found that the misfit strain can induce strong buckling of the free-standing TMD lateral heterostructures of large area, resulting from the TMDs' atomic-thick nature. …
Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in engineering electronic and optoelectronic devices. However, the mechanical properties of the lateral heterostructures are rarely investigated. In this study, a comparative investigation on the mechanical characteristics of 1H, 1T' and 1H/1T' heterostructure phases of different TMD monolayers including molybdenum disulfide (MoS2) molybdenum diselenide (MoSe2), Tungste…
Two-dimensional transition metal dichalcogenides (MX2)/metal oxide heterostructures have shown unique physical properties, making them promising materials for various applications ranging from photocatalysis to solar energy conversion. Understanding the interfacial interactions is highly desirable for designing these heterostructures having excellent performance. Here we systematically study the interfacial interaction in monolayer MX2 (M=Mo, W; X=S, Se)/CeO2 heterostructures and its effects on electronic and optical properties by density functional theory. It is found that the interfacial int…
Application of transition metal dichalcogenides (TMDC) in photonic, optoelectronic or valleytronic devices requires the growth of continuous monolayers, heterostructures and alloys of different materials in a single process. We present a facile pulsed thermal deposition method which provides precise control over layer thickness and stoichiometry of two-dimensional systems. The versatility of the method is demonstrated on ternary monolayers of Mo$_{1-x}$W$_{x}$S$_{2}$ and on heterostructures combining metallic TaS$_{2}$ and semiconducting MoS$_{2}$ layers. The fabricated ternary monolayers cove…
Two-dimensional lateral heterojunctions are basic components for low-power and flexible optoelectronics. In contrast to monolayers, devices based on few-layer lateral heterostructures could offer superior performance due to their lower susceptibility to environmental conditions. Here, we report the controlled synthesis of multi-junction bilayer lateral heterostructures based on MoS2-WS2 and MoSe2-WSe2, where the hetero-junctions are created via sequential lateral edge-epitaxy that happens simultaneously in both the first and the second layer. With respect to their monolayer counterparts, bilay…
Moiré superlattices of transition metal dichalcogenide (TMD) heterostructures give rise to rich excitonic phenomena associated with the interlayer twist angle and induced changes in the involved quantum states. Theoretical calculations of excitons in such systems are typically based on model moiré potentials to mitigate the computational cost. However, an ab initio understanding of the electron-hole coupling dominating the excitations is crucial to realize the twist-induced modifications of the optical selection rules. In this work we use many-body perturbation theory to compute and analyze th…
Van der Waals (vdW) heterobilayers formed by two-dimensional (2D) transition metal dichalcogenides (TMDCs) created a promising platform for various electronic and optical properties. ab initio band results indicate that the band offset of type-II band alignment in TMDCs vdW heterobilayer could be tuned by introducing Janus WSSe monolayer, instead of an external electric field. On the basis of symmetry analysis, the allowed interlayer hopping channels of TMDCs vdW heterobilayer were determined, and a four-level kp model was developed to obtain the interlayer hopping. Results indicate that the i…
The problem of screening the Coulomb interaction between charge carriers in type II heterostructures based on transition metal dichalcogenides is Analytically solved. At a sufficiently high density of charge carriers, the density dependence of the interlayer exciton energy is obtained. The energy of the interlayer exciton tends to zero in the metal--insulator transition point. The presented scheme of calculations makes it possible to find the temperature dependence of the density of this transition.
The possibility of the formation of an electron-hole liquid in the type II heterostructures based on monolayers (bilayers) of transition metal dichalcogenides is considered. It is indicated that additional valleys in the conduction band, which are present in bilayers, are required for its observation. The binding energy of the interlayer exciton is found by the variation method. An analytical formula is found for the shape of the recombination line of the electron-hole liquid.
Low-dimensional metal-semiconductor vertical heterostructures (VH) are promising candidates in the search of electronic devices at the extreme limits of miniaturization. Within this line of research, here we present a theoretical/computational study of the NbS$_2$/WSe$_2$ metal-semiconductor vertical hetero-junction using density functional theory (DFT) and conductance simulations. We first construct atomistic models of the NbS$_2$/WSe$_2$ VH considering all the five possible stacking orientations at the interface, and we conduct DFT and quantum-mechanical (QM) scattering simulations to obtain…
Interest in layered two dimensional materials, particularly stacked heterostructures of transition metal dichalcogenides, has led to the need for a better understanding of the structural and electronic changes induced by stacking. Here, we investigate the effects of idealized heterostructuring, with periodic commensurate stacking, on the structural, electronic, and vibrational properties, when compared to the counterpart bulk transition metal dichalcogenide. We find that in heterostructures with dissimilar chalcogen species there is a strong compression of the inter-layer spacing, compared to …
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties of $\textrm{Fe}/\textrm{WSe}_2/\textrm{Pt}$ systems containing pristine, defective, or doped $\textrm{WSe}_2$ monolayers. The proximity effects of the ferromagnetic Fe layer are studied by considering defective and vanadium-doped $\textrm{WSe}_2$ monolayers. All heterostructures are found to be ferromagnetic, and the insertion of the transition-metal dichalc…
Integration of two-dimensional (2D) van der Waals (vdWs) materials with non-2D materials to realize mixed-dimensional heterostructures has potential for creating functional devices beyond the reach of existing materials and has long been a pursuit of the material science community. Here we report the patterning of monolayer/bilayer transition metal dichalcogenide (TMD) nanostructures with nanometer-precision, tunable sizes and sites at interfaces of graphene/TMD heterostructures. Our experiments demonstrate that the TMD nanostructures can be created at selected positions of the interface using…
The effect of doping on the parameters of an electron-hole liquid (EHL) in heterostructures based on transition metal dichalcogenides is studied. The phase diagram of the EHL is constructed. It is shown that for the formation of a high-temperature tightly bound EHL, as well as for the transition from the semiconducting (exciton) state to the semimetallic one (electron-hole plasma/liquid), it is advantageous to dope the energy band with larger number of valleys. The transition from trion gas to electron-hole plasma is investigated using the modified Mott criterion and variational calculation wi…
Designer three-dimensional electronic bands in asymmetric transition metal dichalcogenide heterostructures
Monash University（蒙纳士大学）；University of Manchester（曼彻斯特大学）；Syarif Hidayatullah State Islamic University Jakarta（雅加达希达亚图拉国立伊斯兰大学）；Flinders University（弗林德斯大学）；Tohoku University（东北大学）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；Pennsylvania State University（宾夕法尼亚州立大学）
Converting solar energy into chemical energy by splitting water is a promising means to generate a sustainable and renewable solution without detrimental environmental impact. The two-dimensional semiconductors serve as potential catalysts in this regard, and here we combine Janus transition-metal dichalcogenides (MoXY, X/Y = S, Se, Te) and graphitic carbon nitride in a van der Waals heterostructure. Within the first-principles calculations, we investigate the electronic, optical and excitonic properties that determine the photocatalytic activity. Due to the internal electric field, the photog…
In bilayers of semiconducting transition metal dichalcogenides, the twist angle between layers can be used to introduce a highly regular periodic potential modulation on a length scale that is large compared to the unit cell. In such structures, correlated states can emerge, in which excitons in the heterostructure are strongly localized to the potential minima due to exciton-exciton interactions. We explore the transition between Mott and extended exciton phases in terms of a moiré-Bose-Hubbard Hamiltonian. Hopping and on-site interaction parameters are obtained from a Wannier representation …
Two-dimensional (2D) transition-metal dichalcogenide (TMD) MX$_2$ (M = Mo, W; X= S, Se, Te) possess unique properties and novel applications. In this work, we perform first-principles calculations on the van der Waals (vdW) stacked MX$_2$ heterostructures to investigate their electronic, optical and transport properties systematically. We perform the so-called Anderson's rule to classify the heterostructures by providing the scheme of the construction of energy band diagrams for the heterostructure consisting of two semiconductor materials. For most of the MX$_2$ heterostructures, the conducti…
Kekulé phases are Peierls-like lattice distortions in graphene that are predicted to host novel electronic states beyond graphene (1-8). Although the Kekulé phases are realized in graphene through introducing electron-electron interactions at high magnetic fields (9-11) or adatom superlattices (12-15), it is still an extremely challenge to obtain large-area graphene Kekulé phases in experiment. Here we demonstrate that sample-wide Kekulé distortions in graphene can be stabilized by using transition metal dichalcogenides (TMDs) as substrates and the induced Kekulé orders are quite robust in the…
We demonstrate experimentally the electrical ballistic electron spin injection from a ferromagnetic metal / tunnel barrier contact into a semiconductor III-V heterostructure. We introduce the Oblique Hanle Effect technique for reliable optical measurement of the degree of injected spin polarization. In a CoFe / Al2O3 / GaAs / (Al,Ga)As heterostructure we observed injected spin polarization in excess of 8 % at 80K.
Van der Waals semiconductor heterostructures could be a platform to harness hot photoexcited carriers in the next generation of optoelectronic and photovoltaic devices. The internal quantum efficiency of hot-carrier devices is determined by the relation between photocarrier extraction and thermalization rates. Using \textit{ab-initio} methods we show that the photocarrier thermalization time in single-layer transition metal dichalcogenides strongly depends on the peculiarities of the phonon spectrum and the electronic spin-orbit coupling. In detail, the lifted spin degeneracy in the valence ba…
We report on the resonant tunneling effect and the increase of tunneling magnetoresistance (TMR) induced by it in ferromagnetic-semiconductor GaMnAs quantum-well heterostructures. The observed quantum levels of the GaMnAs quantum well were successfully explained by the valence-band kp model with the p-d exchange interaction. It was also found that the Fermi level of the electrode injecting carriers is important to observe resonant tunneling in this system.
Ultrasensitive acoustic graphene plasmons in a graphene-transition metal dichalcogenide heterostructure: strong plasmon-phonon coupling and wavelength sensitivity enhanced by a metal screen
The two-dimensional character and reduced screening in monolayer transition-metal dichalcogenides (TMDs) lead to the ubiquitous formation of robust excitons with binding energies orders of magnitude larger than in bulk semiconductors. Focusing on neutral excitons, bound electron-hole pairs, that dominate the optical response in TMDs, it is shown that they can provide fingerprints for magnetic proximity effects in magnetic heterostructures. These proximity effects cannot be described by the widely used single-particle description, but instead reveal the possibility of a conversion between optic…
We demonstrate the spin valve effect by ballistic transport in fully epitaxial MnAs ferromagnetic metal / GaAs semiconductor / GaAs:MnAs granular hybrid heterostructures. The GaAs:MnAs material contains ferromagnetic MnAs nanoparticles in a GaAs matrix, and acts as a spin injector and a spin detector. Although the barrier height of the GaAs/MnAs interface was found to be very small, relatively large magnetoresistance was observed. This result shows that by using ballistic transport, we can realize a large spin valve effect without inserting a high tunnel barrier at the ferromagnetic metal / se…
We investigate the spin-dependent tunneling properties in a three-terminal III-V-based ferromagnetic-semiconductor heterostructure with a 2.5-nm-thick GaMnAs quantum well (QW) and double barriers. We successfully control the quantum levels and modulate the spin-dependent current with varying the voltage of the electrode connected to the GaMnAs QW. Our results will open up a new possibility for realizing three-terminal spin resonant-tunneling devices.
We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene sheets. Contrary to previous works, the systems are constructed in such a way that the unstrained lattice constants of the constituent incommensurate monolayers are retained. We find strong interaction between the Γ-point states in all TMD/TMD heterostructures, which can lead to an indirect gap. On the other hand, states near the K-point remain as in the monol…
The twist angle in transition metal dichalcogenide (TMD) heterobilayers is a compelling degree of freedom that determines electron correlations and the period of lateral confinement of moiré excitons. Here we perform polarization-resolved second harmonic generation (SHG) spectroscopy of MoS2/WSe2 heterostructures. We demonstrate that by choosing suitable laser energies the twist angle between two monolayers can be measured directly on the assembled heterostructure. We show that the amplitude and polarization of the SHG signal from the heterostructure are determined by the twist angle between t…
In van der Waals heterostructures, the relative alignment of bands between layers, and the resulting band hybridisation, are key factors in determining a range of electronic properties. This work examines these effects for heterostructures of transition metal dichalcogenides (TMDs) and hexagonal boron nitride (hBN), an ubiquitous combination given the role of hBN as an encapsulating material. By comparing results of density functional calculations with experimental angle-resolved photoemission spectroscopy (ARPES) results, we explore the hybridisation between the valence states of the TMD and …
This paper reports the development of a methodology combining microstrip ferromagnetic resonance (MS-FMR) and digital image correlation (DIC) in order to silmuteanously measure the voltage-induced strains and the magnetic resonance in artificial magnetoelectric heterostructures (magnetic films/piezoelectric substrate? or magnetic films/flexible substrate/piezoelectric actuator ?). The overall principle of the technique and the related analytical modelling are described. It is powerful to estimate the magnetostriction coefficient of ferromagnetic thin films and can be used to determine the effe…
Large-area ($\sim$cm$^2$) films of vertical heterostructures formed by alternating graphene and transition-metal dichalcogenide(TMD) alloys are obtained by wet chemical routes followed by a thermal treatment at low temperature (300 $^\circ$C). In particular, we synthesized stacked graphene and W$_x$Mo$_{1-x}$S$_2$ alloy phases that were used as hydrogen evolution catalysts. We observed a Tafel slope of 38.7 mV dec$^{-1}$ and 96 mV onset potential (at current density of 10 mA cm$^{-2}$) when the heterostructure alloy is annealed at 300 $^o$C. These results indicate that heterostructure formed b…
The electronic properties of two-dimensional materials such as graphene are extremely sensitive to their environment, especially the underlying substrate. Planar van der Waals bonded substrates such as hexagonal boron nitride (hBN) have been shown to greatly improve the electrical performance of graphene devices by reducing topographic variations and charge fluctuations compared to amorphous insulating substrates}. Semiconducting transition metal dichalchogenides (TMDs) are another family of van der Waals bonded materials that have recently received interest as alternative substrates to hBN fo…
Due to a strong Coulomb interaction, excitons dominate the excitation kinetics in 2D materials. While Coulomb-scattering between electrons has been well studied, the interaction of excitons is more challenging and remains to be explored. As neutral composite bosons consisting of electrons and holes, excitons show a non-trivial scattering dynamics. Here, we study on microscopic footing exciton-exciton interaction in transition-metal dichalcogenides and related van der Waals heterostructures. We demonstrate that the crucial criterion for efficient scattering is a large electron/hole mass asymmet…
We describe a systematic study of the exchange coupling between a magnetically hard metallic ferromagnet (MnAs) and a magnetically soft ferromagnetic semiconductor (GaMnAs) in bilayer and trilayer heterostructures. An exchange spring model of MnAs/GaMnAs bilayers accounts for the variation of the exchange bias field with layer thickness and composition. We also present evidence for hole-mediated interlayer exchange coupling in MnAs/p-GaAs/\GaMnAs trilayers and study the dependence of the exchange bias field on the thickness of the spacer layer.
Atomically thin transition metal dichalcogenides (TMDs) have distinct opto-electronic properties including enhanced luminescence and high on-off current ratios, which can be further modulated by making more complex TMD heterostructures. However, resolution limits of conventional optical methods do not allow for direct optical-structural correlation measurements in these materials, particularly of buried interfaces in TMD heterostructures. Here we use, for the first time, electron beam induced cathodoluminescence in a scanning transmission electron microscope (CL-STEM) to measure optical proper…
We report the interesting possibilities related to the plasmonics and the key parameters of optoelectronics, such as the absorbance and the transmittance, in Van der Waals heterostructures of graphene monolayer on 2D transition metal dichalcogenide (GrTMD) substrate here. We obtain the gapped bands with a Rashba spin-orbit coupling dependent pseudo Zeeman field due to the interplay of substrate induced interactions. This enables us to obtain an expression of the dielectric function in the finite doping case ignoring the spin-flip scattering events completely. We observe that the relative stren…
Transition metal dichalcogenide (TMD) monolayers and heterostructures have emerged as a compelling class of materials with transformative new science that may be harnessed for novel device technologies. These materials are commonly fabricated by exfoliation of flakes from bulk crystals, but wafer-scale epitaxy of single crystal films is required to advance the field. This article reviews the fundamental aspects of epitaxial growth of van der Waals bonded crystals specific to TMD films. The structural and electronic properties of TMD crystals are initially described along with sources and metho…
Realizing axion insulator state with a uniform magnetization considerably facilitates experimental explorations of the intriguing topological magnetoelectric effect, a hallmark of three-dimensional (3D) topological insulators (TIs). Through density functional theory calculations and four-band model studies, we find that magnetic ions Cr3+ in monolayer CrI3 and Mn2+ in septuple-layer MnBi2Se4 have opposite exchange couplings to the topological surface states of 3D TI Bi2Se3. As an exciting result of such opposite exchange couplings, axion insulator state is realized by a uniform magnetization i…
Van der Waals heterostructures made of graphene and transition metal dichalcogenides (TMD) are an emerging platform for opto-electronic, -spintronic and -valleytronic devices that could benefit from (i) strong light-matter interactions and spin-valley locking in TMDs and (ii) exceptional electron and spin transport in graphene. The operation of such devices requires significant valley polarization and valley coherence, ideally up to room temperature. Here, using a comprehensive Mueller polarimetry analysis, we report \textit{artifact-free} room temperature degrees of valley polarization up to …
We investigate magnetic domain wall (MDW) dynamics induced by applied electric fields in ferromagnetic-ferroelectric thin-film heterostructures. In contrast to conventional driving mechanisms where MDW motion is induced directly by magnetic fields or electric currents, MDW motion arises here as a result of strong pinning of MDWs onto ferroelectric domain walls (FDWs) via local strain coupling. By performing extensive micromagnetic simulations, we find several dynamical regimes, including instabilities such as spin wave emission and complex transformations of the MDW structure. In all cases, th…
We have investigated the magnetic properties of a GaN/Ga1-xMnxN (x = 0.1) digital ferromagnetic heterostructure (DFH) showing ferromagnetic behavior using soft x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). The Mn L2,3-edge XAS spectra were similar to those of Ga1-xMnxN random alloy thin films, indicating a substitutional doping of high concentration Mn into GaN. From the XMCD measurements, it was revealed that paramagnetic and ferromagnetic Mn atoms coexisted in the Ga1-xMnxN digital layers. The ferromagnetic moment per Mn atom estimated from XMCD agreed wel…
We demonstrate the manipulation of the Curie temperature of buried layers of the ferromagnetic semiconductor (Ga,Mn)As using nanolithography to enhance the effect of annealing. Patterning the GaAs-capped ferromagnetic layers into nanowires exposes free surfaces at the sidewalls of the patterned (Ga,Mn)As layers and thus allows the removal of Mn interstitials using annealing. This leads to an enhanced Curie temperature and reduced resistivity compared to unpatterned samples. For a fixed annealing time, the enhancement of the Curie temperature is larger for narrower nanowires.
Semiconductor heterostructures are fundamental building blocks for many important device applications. The emergence of two-dimensional semiconductors opens up a new realm for creating heterostructures. As the bandgaps of transition metal dichalcogenides thin films have sensitive layer dependence, it is natural to create lateral heterojunctions using the same materials with different thicknesses. Using scanning tunneling microscopy and spectroscopy, here we show the real space image of electronic structures across the bilayer-monolayer interface in MoSe2 and WSe2. Most bilayer-monolayer hetero…
We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density functional theory. We focus on the role of strain on the band structure and band alignment across the series 2D materials. We find that strain has a significant effect on the band gap; a biaxial strain of 1% decreases the band gap in the 2H structures, by as a much 0.2 eV in MoS2 and WS2, while increasing it for the 1T materials. These results indicate that st…
We have found high ferromagnetic transition temperature in Mn delta-doped GaAs-based heterostructures grown on GaAs(001) substrates by molecular beam epitaxy. A 0.3 ML Mn d-doped GaAs samples showed high resistivity at low temperature and did not show a ferromagnetic behavior. However, in a selectively doped heterostructure (Mn delta-doped GaAs / Be-doped AlGaAs), where holes were supplied from the Be-doped AlGaAs layer, clear ferromagnetic order was observed. The ferromagnetic transition temperature of the selectively doped heterostructure was as high as 172K with suitable low-temperature (LT…
Spin injection using ferromagnetic semiconductors at room temperature is a building block for the realization of spin-functional semiconductor devices. Nevertheless, this has been very challenging due to the lack of reliable room-temperature ferromagnetism in well-known group IV and III-V based semiconductors. Here, we demonstrate room-temperature spin injection by using spin pumping in a (Ga,Fe)Sb / BiSb heterostructure, where (Ga,Fe)Sb is a ferromagnetic semiconductor (FMS) with high Curie temperature (TC) and BiSb is a topological insulator (TI). Despite the very small magnetization of (Ga,…
In an earlier work, it was shown that the dispersion of the van der Waals heterostructures (vdWHs) of graphene monolayer on 2D transition metal dichalcogenide (GrTMD) substrate comprises of the spin-split, gapped bands. Using these it was also shown that the intra-band plasmon dispersion for the finite doping and the long wavelength limit involves the q2/3 (unconventional) behaviour and not the well known q1/2 behaviour. In this paper the optical conductivity and the optical properties of this vdWH are reported. We find that there are no (inter-band) plasmons for electron doping as long as the…
The interfacial Dzyaloshinskii Moriya Interaction (DMI) in ultrathin magnetic thin film heterostructures provides a new approach for controlling spin textures on mesoscopic length scales. Here we investigate the dependence of the interfacial DMI constant D on a Pt wedge insertion layer in Ta_CoFeB_Pt(wedge)_MgO thin films by observing the asymmetric spin wave dispersion using Brillouin light scattering. Continuous tuning of D by more than a factor of three is realized by inserting less than one monolayer of Pt. The observations provide new insights for designing magnetic thin film heterostruct…
The objective of this work is to study the effects of charge redistribution, applied layer-normal electric fields, applied strain, and layer engineering on the band alignment of Black Phosphorus (BP)/Molybdenum disulphide (MoS2) heterostructure through Density Functional Theory (DFT) simulations. Black phosphorus works as a p-type material with high mobility, mechanical flexibility, and sensitivity to number of layers. Combining it with the more electronegative material, MoS2 results in strong carrier confinement and a Type II heterostructure. Charge redistribution among the layers shifts the …
