Polarized photoluminescence spectroscopy in WS2, WSe2 atomic layers and heterostructures by cylindrical vector beams

Due to the large exciton binding energy, two-dimensional (2D) transition metal dichalcogenides (TMDCs) provide an ideal platform for studying excitonic states and related photonics and optoelectronics. Polarization states lead to distinct light-matter interactions which are of great importance for device applications. In this work, we study polarized photoluminescence spectra from intralayer exciton and indirect exciton in WS₂ and WSe₂ atomic layers, and interlayer exciton in WS₂/WSe₂ heterostructures by radially and azimuthally polarized cylindrical vector laser beams. We demonstrated the same in-plane and out-of-plane polarization behavior from the intralayer and indirect exciton. Moreover, with these two laser modes, we obtained interlayer exciton in WS₂/WSe₂ heterostructures with stronger out-of-plane polarization, due to the formation of vertical electric dipole moment.     

Energy band alignment of 2D/3D MoS2/4H-SiC heterostructure modulated by multiple interfacial interactions

The interfacial properties of MoS₂/4H-SiC heterostructures were studied by combining first-principles calculations and X-ray photoelectron spectroscopy. Experimental (theoretical) valence band offsets (VBOs) increase from 1.49 (1.46) to 2.19 (2.36) eV with increasing MoS₂ monolayer (1L) up to 4 layers (4L). A strong interlayer interaction was revealed at 1L MoS₂/SiC interface. Fermi level pinning and totally surface passivation were realized for 4H-SiC (0001) surface. About 0.96e per unit cell transferring forms an electric field from SiC to MoS₂. Then, 1L MoS₂/SiC interface exhibits type I band alignment with the asymmetric conduction band offset (CBO) and VBO. For 2L and 4L MoS₂/SiC, Fermi level was just pinning at the lower MoS₂ 1L. The interaction keeps weak vdW interaction between upper and lower MoS₂ layers. They exhibit the type II band alignments and the enlarged CBOs and VBOs, which is attributed to weak vdW interaction and strong interlayer orbital coupling in the multilayer MoS₂. High efficiency of charge separation will emerge due to the asymmetric band alignment and built-in electric field for all the MoS₂/SiC interfaces. The multiple interfacial interactions provide a new modulated perspective for the next-generation electronics and optoelectronics based on the 2D/3D semiconductors heterojunctions.     

Electronic,dielectric and mechanical properties of MoS2/SiC hybrid bilayer: A first principle study

The electronic, mechanical and dielectric properties of lateral MoS₂/SiC heterobilayer are investigated using first principles calculations. Among various stacking conformations, the energetically favorable stackings namely AA₂ and AB′₁ have been considered in the present study. The band gap of the heterobilayer shows reduction as compared to constituent monolayers which also remains stacking dependent. The electronic band-gap is further tunable by applying mechanical strain and perpendicular electric field that rendered heterostructures from semiconductor to metal at critical value of applied strain/field. The stacking of heterobilayer strongly influence its mechanical properties e.g. ultimate tensile strength of considered two favorable stacking differ by more than 50%; the ultimate tensile strain of 17% and 21% respectively has been calculated for two different stackings. The static dielectric constant also shows tunability on heterostructuring the constituent monolayers as well as applying strain and field. These tunable properties of MoS₂/SiC may be useful for the device applications at nanoscale.     

Prediction of quantum anomalous Hall effect in CrI3/ScCl2 bilayer heterostructure

Based on first-principles calculations, a two-dimensional (2D) van der Waals (vdW) bilayer heterostructure consisting of two topologically trivial ferromagnetic (FM) monolayers CrI₃ and ScCl₂ is proposed to realize the quantum anomalous Hall effect (QAHE) with a sizable topologically nontrivial band gap of 4.5 meV. Its topological nature is attributed to an interlayer band inversion between the monolayers and critically depends on the symmetry of the stacking configuration. We further demonstrate that the topologically nontrivial band gap can be increased nearly linearly by the application of a perpendicular external pressure and reaches 8.1 meV at 2.7 GPa, and the application of an external out-of-plane electric field can also modulate the band gap and convert the system back to topologically trivial via eliminating the band inversion. An effective model is developed to describe the topological phase evolution in this bilayer heterostructure. This work provides a new candidate system based on 2D vdW materials for realization of potential high-temperature QAHE with considerable controllability.     

含磁电弹夹层的压电/压磁声子晶体带隙特性研究

将具有力电磁耦合性能的夹层引入到压电/压磁声子晶体中,在保持单胞长度为固定值的情况下,分别改变磁电弹夹层的厚度、磁电弹夹层中压电材料的体积分数和磁电弹夹层中压电材料的种类;并利用传递矩阵法和Bloch定理,得到波数k与频率ω的色散关系;通过色散关系图分析不同的磁电弹夹层对压电/压磁声子晶体带隙特性的影响.研究发现:当磁电弹夹层厚度增加时,带隙的中心频率上升,带隙宽度变宽;当磁电弹夹层中压电材料体积分数增加时,带隙中心频率下降,第一带隙宽度变窄,第二带隙宽度增加,第三带隙宽度保持不变;当磁电弹夹层中的压电材料种类不同时,带隙的中心频率和带隙宽度有明显的改变;磁电弹夹层对压电/压磁声子晶体带隙中心频率的影响在高频区比低频区更显著.     

Modulation of band gap by normal strain and an applied electric field in SiC-based heterostructures

The structure and electronic properties of the WS₂/SiC van der Waals (vdW) heterostructures under the influence of normal strain and an external electric field have been investigated by the ab initio method. Our results reveal that the compressive strain has much influence on the band gap of the vdW heterostructures and the band gap monotonically increases from 1.330 to 1.629 eV. The results also imply that electrons are likely to transfer from WS₂ to SiC monolayer due to the deeper potential of SiC monolayer. Interestingly, by applying a vertical external electric field, the results present a parabola-like relationship between the band gap and the strength. As the E-field changes from to ?0.50 +0.20 V/Å, the band gap first increases from zero to a maximum of about 1.90 eV and then decreases to zero. The significant variations of band gap are owing to different states of W, S, Si, and C atoms in conduction band and valence band. The predicted electric field tunable band gap of the WS₂/SiC vdW heterostructures is very promising for its potential use in nanodevices.     

Band gap tuning of Ge/SiC bilayers under an electric field: a density functional study

The structure and electronic properties of Ge/SiC van der Waals (vdW) bilayer under the influence of an electric field have been investigated by the first-principles method. Without an electric field, the system shows a small band gap of 126 meV at the equilibrium state. Interestingly, by applying a vertical external electric field, the results present a parabola-like relationship between the band gap and the strength. As the negative E-field changes from 0.0 to ?0.40 V/Å, the band gap first increases to a maximum of about 378 meV and then decreases to zero. A similar trend is exhibited for the positive E-field, ranging from 0.0 to +0.40 V/Å. The band gap reaches a maximum of about 315 meV at +0.10 V/Å. The significant variations of band gap are owing to different states of Ge, Si, and C atoms in conduction band and valence band. The predicted electric field tunable band gap of the Ge/SiC vdW heterostructures is very promising for its potential use in nanodevices.     

Ferroelectricity in hBN intercalated double-layer graphene

Van der Waals (vdW) assembly of two-dimensional materials has long been recognized as a powerful tool for creating unique systems with properties that cannot be found in natural compounds [Nature 499, 419 (2013)]. However, among the variety of vdW heterostructures and their various properties, only a few have revealed metallic and ferroelectric behaviour signatures [Sci. Adv. 5, eaax5080 (2019); Nature560, 336 (2018)]. Here we show ferroelectric semimetal made of double-gated double-layer graphene separated by an atomically thin crystal of hexagonal boron nitride. The structure demonstrates high room temperature mobility of the order of 10 m²·V⁻¹·s⁻¹ and exhibits ambipolar switching in response to the external electric field. The observed hysteresis is reversible and persists above room temperature. Our fabrication method expands the family of ferroelectric vdW compounds and offers a promising route for developing novel phase-changing devices. A possible microscopic model of ferroelectricity is discussed.     

Strain drived band aligment transition of the ferromagnetic VS_2/C_3N van der Waals heterostructure

Exploring two-dimensional(2 D) magnetic heterostructures is essential for future spintronic and optoelectronic devices.Herein,using first-principle calculations,stable ferromagnetic ordering and colorful electronic properties are established by constructing the VS_2/C_3 N van der Waals(vdW) heterostructure.Unlike the semiconductive properties with indirect band gaps in both the VS_2 and C_3 N monolayers,our results indicate that a direct band gap with type-Ⅱ band alignment and p-doping characters are realized in the spin-up channel of the VS_2/C_3 N heterostructure,and a typical type-Ⅲband alignment with a broken-gap in the spin-down channel.Furthermore,the band alignments in the two spin channels can be effectively tuned by applying tensile strain.An interchangement between the type-Ⅱ and type-Ⅲ band alignments occurs in the two spin channels,as the tensile strain increases to 4%.The attractive magnetic properties and the unique band alignments could be useful for prospective applications in the next-generation tunneling devices and spintronic devices.     

Reduction of low‐frequency noise in multilayer MoS2 FETs using a Fermi‐level depinning layer

Two‐dimensional transition metal dichalcogenides (TMDCs) are potential candidate materials for future thin‐film field effect transistors (FETs). However, many aspects of this device must be optimized for practical applications. In addition, low‐frequency noise that limits the design window of electronic devices, in general, must be minimized for TMD‐based FETs. In this study, the low‐frequency noise characteristics of multilayer molybdenum disulphide (MoS₂) FETs were investigated in detail, with two different contact structures: titanium (Ti) metal–MoS₂ channel and Ti metal–TiO₂ interlayer–MoS₂ channel. The results showed that the noise level of the device with a TiO₂ interlayer reduced by one order of magnitude compared with the device without the TiO₂ interlayer. This substantial improvement in the noise characteristics could be explained using the carrier number of fluctuation model. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Magnetic proximity effect induced spin splitting in two-dimensional antimonene/Fe3GeTe2 van der Waals heterostructures

Recently, two-dimensional van der Waals (vdW) magnetic heterostructures have attracted intensive attention since they can show remarkable properties due to the magnetic proximity effect. In this work, the spin-polarized electronic structures of antimonene/Fe₃GeTe₂ vdW heterostructures were investigated through the first-principles calculations. Owing to the magnetic proximity effect, the spin splitting appears at the conduction-band minimum (CBM) and the valence-band maximum (VBM) of the antimonene. A low-energy effective Hamiltonian was proposed to depict the spin splitting. It was found that the spin splitting can be modulated by means of applying an external electric field, changing interlayer distance or changing stacking configuration. The spin splitting energy at the CBM monotonously increases as the external electric field changes from -5 V/nm to 5 V/nm, while the spin splitting energy at the VBM almost remains the same. Meanwhile, as the interlayer distance increases, the spin splitting energies at the CBM and VBM both decrease. The different stacking configurations can also induce different spin splitting energies at the CBM and VBM. Our work demonstrates that the spin splitting of antimonene in this heterostructure is not singly dependent on the nearest Sb—Fe distance, which indicates that magnetic proximity effect in heterostructures may be modulated by multiple factors, such as hybridization of electronic states and the local electronic environment. The results enrich the fundamental understanding of the magnetic proximity effect in two-dimensional vdW heterostructures.     

Tunable electronic and optical properties of SnC/BAs heterostructure by external electric field and vertical strain

Based on the first-principles method, we investigate the electronic structure of SnC/BAs van der Waals (vdW) heterostructure and find that it has an intrinsic type-II band alignment with a direct band gap of 0.22 eV, which favors the separation of photogenerated electron–hole pairs. The band gap can be effectively modulated by applying vertical strain and external electric field, displaying a large alteration of band gap via the strain and experiencing an indirect-to-direct band gap transition. Moreover, the band gap of the heterostructure varies almost linearly with external electric field, and the semiconductor-to-metal transition can be realized in the presence of a strong electric field. The calculated band alignment and the optical absorption reveal that the SnC/BAs heterostructure could present an excellent light-harvesting performance. Our designed heterostructure is expected to have great potential applications in nanoelectronic devices and photovoltaics and optical properties.     

Strain and electric-field induced tunable electronic properties of blue phosphorus-GeS/SnS/SnSe (orthorhombic) vdW heterostructures

In this work, we composite blue phosphorous (blueP) and monolayer GeS/SnS/SnSe through van der Waals (vdW) force interaction. It is found that blueP-GeS/SnS heterostructures are stable and form type-II band alignments, which can effectively promote the separation of photoinduced carriers. We perform a systematic theoretical study of interlayer coupling effects and band realignment of blueP-GeS/SnS/SnSe heterostructures after the strain and electric-field are imposed. BlueP and GeS/SnS/SnSe are twisted with different angles, and the theoretical framework of bands alignment and carriers' separation are established. The results show that the electronic properties of independent blueP and GeS/SnS/SnSe can be roughly maintained. When strain is applied, the band alignment shows significant adjustability by changing the external strain. Besides, the blueP-SnSe heterostructure show type-II characteristic in the range from -0.25 V/Å to -0.1 V/Å. Our theoretical calculation proves that strain and electric field engineering are two useful methods to design novel electronic devices.     

AlN插入层对a-AlGaN的外延生长的影响

采用有机金属化学气相沉积(MOCVD)在r面蓝宝石衬底上生长a-AlGaN外延膜,研究了AlN插入层对a-AlGaN外延膜的应力和光学性质的影响。根据高分辨X射线衍射(HRXRD)技术和扫描电子显微镜(SEM)我们可以得到,AlN插入层有效地提高了a-AlGaN外延膜的晶体质量并减小了外延膜材料结构的各向异性。由拉曼光谱得到AlN插入层的引入减小了a-AlGaN外延膜的面内压应力,其原因是AlN插入层可以当作衬底有效的调制与减小a-AlGaN外延膜与r面蓝宝石衬底的晶格失配,从而使a-AlGaN的面内应力得到适当释放。对室温下的光致发光进行测量得到AlN插入层的使用使近带边发射峰(NBE)发生了红移,这可能是由于残余应力的减小引起。     

Composition and electric field effects on the transport properties of Bi doped chalcogenide glasses thin films

The temperature dependence of the DC electrical conductivity σ_DC was measured in the temperature range from 300–500 K. It was found that there are double activation energies, E_σ, for Ge₂₀Se_80−xBi_x (x=0, 2.5 and 5 at%) films, while there is single activation energy for Ge₂₀Se_72.5Bi_7.5. when incorporation of Bi=7.5 at%, the pre-exponential value σ₀ decreases by about six order of magnitude, the activation energy in the extended states E_σ decreases from 0.96 to 0.09 eV. Also the effect of applied electric field was studied and observed that, activation energy in high temperature region increases with increasing electric field; this behavior can be understood assuming that the contribution to the conductivity activation process is due to conduction in the extended states and also due to hopping in the localized states. With the increasing electric field, as former process, which is having high activation energy, becomes more predominant due to the dumping of the carriers in the extended states, the effective activation energy of the system increases, in spite of the fact that the activation energy of the extended states conduction may remain constant. Finally, the electrical data suggests that the addition of bismuth produces localized states near the conduction band edge so that the electrical transport is due to hopping of electrons after being excited into localized states at the conduction band edge.     

The influence of SixNy interlayer on GaN film grown on Si(111) substrate

A method to drastically reduce dislocation density in a GaN film grown on an Si(111) substrate is newly developed. In this method, the Si_xN_y interlayer which is deposited on an AlN buffer layer in situ is introduced to grow the GaN film laterally. The crack-free GaN film with thickness over 1.7 micron is grown on an Si(111) substrate successfully. Synthesized GaN epilayer is characterized by X-ray diffraction (XRD), atomic force microscope (AFM), and Raman spectrum. The test results show that the GaN crystal reveals a wurtzite structure with the <0001> crystal orientation and the full width at half maximum of the X-ray diffraction curve in the (0002) plane is as low as 403 arcsec for the GaN film grown on the Si substrate with an Si_xN_y interlayer. In addition, Raman scattering is used to study the stress in the sample. The results indicate that the Si_xN_y interlayer can more effectively accommodate the strain energy. So the dislocation density can be reduced drastically, and the crystal quality of GaN film can be greatly improved by introducing Si_xN_y interlayer.     

On the theory of layered high-temperature superconductors

Assuming that charge carriers form a Fermi liquid state, we study a model for layered high-temperature superconductors with unretarded intralayer and interlayer pairing. Guided by band structure calculations and inverse photoemission experiments, we adopt a tight binding band with nearest and next-nearest neighbors hopping within the sheets and weak interlayer hopping. The gap equations are solved numerically, without imposing a cutoff energy, characteristic to phonon mediated superconductivity. On this basis we calculate the gap parameters,T _c , the tunneling conductance, infrared absorption and the coherence length for various band fillings =1/2–x by introducing excess holes of concentrationx. Assuming the interlayer coupling strength to be smaller than the intralayer one, our main results are as follows:T _c is dominated by the intralayer properties, reaching a maximum atx0.3, where strong coupling features appear. In the presence of interlayer pairing, the gap becomes anisotropic perpendicular to the layers, and standard BCS-behavior is modified. In particular the BCS-square root singularity in the density of states and in the tunneling conductance is replaced by van Hove singularities characterizing the anisotropic gap. In particular, we investigate the anisotropy of the tunneling conductance for specular and diffuse tunneling for a junction parallel or perpendicular to the layers, infrared absorption, as well as the coherence length, parallel and perpendicular to the layers.     

Thermally induced band hybridization in bilayer-bilayer MoS_2/WS_2 heterostructure

Transition metal dichalcogenides(TMDs), being valley selectively, are an ideal system hosting excitons. Stacking TMDs together to form heterostructure offers an exciting platform to engineer new optical and electronic properties in solid-state systems. However, due to the limited accuracy and repetitiveness of sample preparation, the effects of interlayer coupling on the electronic and excitonic properties have not been systematically investigated. In this report, we study the photoluminescence spectra of bilayer-bilayer MoS_2/WS_2 heterostructure with a type Ⅱ band alignment. We demonstrate that thermal annealing can increase interlayer coupling in the van der Waals heterostructures, and after thermally induced band hybridization such heterostructure behaves more like an artificial new solid, rather than just the combination of two individual TMD components. We also carry out experimental and theoretical studies of the electric controllable direct and indirect infrared interlayer excitons in such system. Our study reveals the impact of interlayer coupling on interlayer excitons and will shed light on the understanding and engineering of layer-controlled spin-valley configuration in twisted van der Waals heterostructures.     

Vertical WS_2 spin valve with Ohmic property based on Fe_3GeTe_2 electrodes

The two-dimensional(2 D) transition-metal dichalcogenides(TMDCs) have been recently proposed as a promising class of materials for spintronic applications. Here, we report on the all-2 D van der Waals(vd W) heterostructure spin valve device comprising of an exfoliated ultra-thin WS_2 semiconductor acting as the spacer layer and two exfoliated ferromagnetic Fe_3 GeTe_2(FGT) metals acting as ferromagnetic electrodes. The metallic interface rather than Schottky barrier is formed despite the semiconducting nature of WS_2, which could be originated from the strong interface hybridization. The spin valve effect persists up to the Curie temperature of FGT. Moreover, our metallic spin valve devices exhibit robust spin valve effect where the magnetoresistance magnitude does not vary with the applied bias in the measured range up to 50 μA due to the Ohmic property, which is a highly desirable feature for practical application that requires stable device performance. Our work reveals that WS_2-based all-2 D magnetic vd W heterostructure, facilitated by combining 2 D magnets, is expected to be an attractive candidate for the TMDCs-based spintronic applications.     

Equipartition of current in metallic armchair nanoribbon of graphene-based device

We numerically investigate the mesoscopic electronic transport properties of Bernal-stacked bilayer/trilayer graphene connected with four monolayer graphene terminals. In armchair-terminated metallic bilayer graphene, we show that the current from one incoming terminal can be equally partitioned into other three outgoing terminals near the charge-neutrality point, and the conductance periodically fluctuates, which is independent of the ribbon width but influenced by the interlayer hopping energy. This finding can be clearly understood by using the wave function matching method, in which a quantitative relationship between the periodicity, Fermi energy, and interlayer hopping energy can be reached. Interestingly, for the trilayer case, when the Fermi energy is located around the charge-neutrality point, the fractional quantized conductance 1/(4e²h) can be achieved when system exceeds a critical length.