We propose a new method to calculate polarization induced interfacial charges in semiconductor heterostructures using classical electrostatics applied to real-space band diagrams from first principles calculations and apply it to GaN/AlN heterostructures with ultrathin AlN layers (4-6 monolayers). We show that the calculated electric fields and interfacial charges are independent of the exchange-correlation functionals used (local-density approximation and hybrid functionals). We also find the calculated interfacial charge of (6.8 +/- 0.4) x 10^13 cm-2 to be in excellent agreement with experiments and the value of 6.58 x 10^13 cm-2 calculated from bulk polarization constants, validating the use of bulk constants even for very thin films.
We report a theoretical study of the structural, electronic and optical properties of hBN-AlN superlattice heterostructures (SL) using a first-principles approach based on standard and hybrid Density Functional Theory. We consider short-period ($L<10$ nm) SL and find that their properties depend strongly on the AlN layer thickness $L_{AlN}$. For $L_{AlN}\lesssim1$ nm, AlN stabilizes into the hexagonal phase and SL display insulating behavior with type II interface band alignment and optical gaps as small as $5.2$ eV. The wurtzite phase forms for thicker AlN layers. In these cases built-in elec…
Transition metal dichalcogenides (TMD) monolayers, holding potential as good sunlight absorbers, are promising materials for next-generation optoelectronic devices. They may enable ultrathin photovoltaic(PV) devices thanks to their semiconducting character. In addition, heterocombinations of AlN and GaN sheets with MoS$_2$ monolayers have been suggested to be efficient water-splitting devices. Following these promising findings and motivated by the small lattice mismatch, we take up the idea of coupling a semiconducting WS$_2$ TMD monolayer with a AlN monolayer in a vdW heterostructure which i…
In this paper, we study band-to-band and intersubband characteristics of GaN/AlN heterostructures (planar and nanowires) structurally designed to absorb in the short-wavelength infrared region, particularly at 1.55 microns. We compare the effect of doping the GaN sections with Si and Ge, and we discuss the variation of free-carrier screening with the doping density and well/nanodisk size. We observe that nanowire heterostructures consistently present longer photoluminescence decay times than their planar counterparts, which supports the existence of an in-plane piezoelectric field associated t…
Electrically injected deep ultra-violet (UV) emission is obtained using monolayer (ML) thin GaN/AlN quantum structures as active regions. The emission wavelength is tuned by controlling the thickness of ultrathin GaN layers with monolayer precision using plasma assisted molecular beam epitaxy (PAMBE). Single peaked emission spectra is achieved with narrow full width at half maximum (FWHM) for three different light emitting diodes (LEDs) operating at 232 nm, 246 nm and 270 nm. 232 nm (5.34 eV) is the shortest EL emission wavelength reported so far using GaN as the light emitting material and em…
Weak antilocalization and zero-field electron spin splitting in AlGaN/AlN/GaN heterostructures with a polarization induced two-dimensional electron gas
Illumination and annealing characteristics of two-dimensional electron gas systems in metal-organic vapor-phase epitaxy grown AlGaN/AlN/GaN heterostructures
研究了两种不同Al组分（x=0.15和x=0.25）的AlGaN/AlN/GAN异质结的持续光电导（PPC）效应。利用Shubnikov-de Haas和Hall测量方法研究了AlN/GAN异质界面处形成的二维电子气。利用光学照射，我们能够将Al 0.15 Ga 0.85 N/AlN/GAN样品的载流子密度从1.6 × 10 ^{12} cm^{-2}增加到5.9 × 10 ^{12} cm^{-2}，同时在T = 1.6 K时电子迁移率从9540 cm 2/Vs增加到21400 cm 2/Vs。在这两个样品中的持续光电流表现出强烈的依赖于照明波长，是最高的接近带隙和降低在较长的波长。PPC效应对于长于530 nm的照明波长变得相当弱，并且在光谱的红外区域（>700 nm）中显示出具有初始负光电导的更复杂的响应。Al0.25Ga0.75N/AlN/GAN和Al0.15Ga0.85N/AlN/GAN样品在390 nm照射下的最大PPC效率分别为0.011%和0.005%。在光照后，可以通过退火样品来降低载流子密度。在20-280 K温度范围内研究了PPC效应的退火特性。我们发现，在280 K退火是不足以完全恢复的载流子密度。事实上，即使在室温下，PPC效应也发生在这些样品中。比较两种样品的测量结果，Al0.25Ga0.75N/AlN/GAN样品具有较大的光照响应，并显示出较小的恢复与…
We grow AlN/4H-SiC and AlN/6H-SiC heterostructures by physical vapor deposition and characterize the heterointerface with nanoscale resolution. Furthermore, we investigate the spatial stress and strain distribution in these heterostructures using confocal Raman spectroscopy. We measure the spectral shifts of various vibrational Raman modes across the heterointerface and along the entire depth of the 4H- and 6H-SiC layers. Using the earlier experimental prediction for the phonon-deformation potential constants, we determine the stress tensor components in SiC as a function of the distance from …
Quantum well (QW) heterostructures have been extensively used for the realization of a wide range of optical and electronic devices. Exploiting their potential for further improvement and development requires a fundamental understanding of their electronic structure. So far, the most commonly used experimental techniques for this purpose have been all-optical spectroscopy methods that, however, are generally averaged in momentum space. Additional information can be gained by angle-resolved photoelectron spectroscopy (ARPES), which measures the electronic structure with momentum resolution. Her…
This work presents a systematic study of stress and strain of AlxGa1-xN/AlN with composition ranging from GaN to AlN, grown on a c-plane sapphire by metal-organic chemical vapor deposition, using synchrotron radiation high-resolution X-ray diffraction and reciprocal space mapping. The c-plane of the AlxGa1-xN epitaxial layers exhibits compressive strain, while the a-plane exhibits tensile strain. The biaxial stress and strain are found to increase with increasing Al composition, although the lattice mismatch between the AlxGa1-xN and the buffer layer AlN gets smaller. A reduction in the latera…
Polarization-balanced design of AlN/GaN heterostructures: Application to double-barrier structures
反型区和耗尽区通常形成在掺杂引线（包覆层）与极性异质结构（如AlN/GAN和其他氮化物化合物）的有源区之间的界面处。耗尽区的能带弯曲形成势垒，严重阻碍垂直电子输运。这可能会破坏量子级联激光器和共振隧穿二极管等器件的性能。在这里，我们介绍了极化平衡和极化平衡设计的概念：一个结构是极化平衡时，所施加的偏置匹配的电压降所产生的自发和压电场。设计为在该偏置下工作的器件具有偏振平衡设计。这些概念提供了一个系统的方法来避免耗尽区的形成。作为一个测试案例，我们考虑的AlN/GAN双势垒结构的设计与Al $_{\tilde{x}}$ Ga $_{1-\tilde{x}}$ N引线。为了指导我们的努力，我们得出一个简单的关系所产生的极性效应，平均合金成分的有源区，和合金浓度的引线的固有电压降。极化平衡设计确保了无偏结构的基态的良好填充，而对于有效排空有源结构的偏置结构，其去除了耗尽势垒。
We have characterized the photodetection capabilities of single GaN nanowires incorporating 20 periods of AlN/GaN:Ge axial heterostructures enveloped in an AlN shell. Transmission electron microscopy confirms the absence of an additional GaN shell around the heterostructures. In the absence of a surface conduction channel, the incorporation of the heterostructure leads to a decrease of the dark current and an increase of the photosensitivity. A significant dispersion in the magnitude of dark currents for different single nanowires is attributed to the coalescence of nanowires with displaced na…
Heterostructures consisting of alternating GaN/AlN epitaxial layers represent the building-blocks of state-of-the-art devices employed for active cooling and energy-saving lightning. Insights into the heat conduction of these structures are essential in the perspective of improving the heat management for prospective applications. Here, the cross-plane (perpendicular to the sample's surface) thermal conductivity of GaN/AlN superlattices as a function of the layers' thickness is established by employing the $3ω$-method. Moreover, the role of interdiffusion at the interfaces on the phonon scatte…
Secondary-ion Mass Spectrometry (SIMS) is used to determine impurity concentrations of carbon and oxygen in two scandium containing nitride semiconductor multilayer heterostructures: ScxGa1-xN/GaN and ScxAl1-xN/AlN grown by molecular beam epitaxy (MBE). In the ScxGa1-xN/GaN heterostructure grown in metal rich conditions on GaN-SiC template substrates with Sc contents up to 28 atomic percent, the oxygen concentration is found to be below 1x1019/cm3, with an increase directly correlated with the Scandium content. In the ScxAl1-xN-AlN heterostructure grown in nitrogen rich conditions on AlN-Al2O3…
We realize and investigate a nonlinear metasurface taking advantage of intersubband transitions in ultranarrow GaN/AlN multi-quantum well heterostructures. Owing to huge band offsets, the structures offer resonant transitions in the telecom window around 1.55 $μ$m. These heterostructures are functionalized with an array of plasmonic antennas featuring cross-polarized resonances at these near-infrared wavelengths and their second harmonic. This kind of nonlinear metasurface allows for substantial second-harmonic generation at normal incidence which is completely absent for an antenna array with…
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…
Hybrid materials of MXenes (2D carbides and nitrides) and transition-metal oxides (TMOs) have shown great promise in electrical energy storage and 2D heterostructures have been proposed as the next-generation electrode materials to expand the limits of current technology. Here we use first principles density functional theory to investigate the interfacial structure, energetics, and electronic properties of the heterostructures of MXenes (Tin+1CnT2; T=terminal groups) and anatase TiO2. We find that the greatest work-function differences are between OH-terminated-MXene (1.6 eV) and anatase TiO2…
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…
DFT calculations within the generalized Bloch theorem approach show that interfacial Dzyaloshinskii-Moriya interactions (DMI) at both interfaces of Graphene/Co$_n$/Pt(111) multilayer heterostructures are decoupled for $n \geq 3$. Unlike the property of magnetocrystalline anisotropy for this system, DMI is not affected by stacking defects in the Co layer. The effect of Graphene (Gr) is to invert the chirality of the vaccum/Co interfacial DMI, overall reducing the DMI of the heterostructure, which is nevertheless dominated by the strong spin-orbit coupling (SOC) of Pt. A spectral analysis in the…
We report experimental and computational studies of thermal transport properties in hexagonal boron nitride (hBN) encapsulated molybdenum disulfide (MoS2) structure using refined optothermal Raman techniques, and reveal very high interfacial thermal conductance between hBN and MoS2. By studying the Raman shift of hBN and MoS2 in suspended and substrate-supported thin films under varying laser power and temperature, we calibrate lateral (in-plane) thermal conductivity of hBN and MoS2 and the vertical interfacial thermal conductance in the hBN/MoS2/hBN heterostructure as well as the interfaces b…
The large Landé g-factor, high spin-orbit coupling, and low effective mass of the two-dimensional electron gas in InSb quantum wells combined with proximal superconductivity may realize a scalable platform for topological quantum computation. Aluminum thin films directly deposited on top of InSb planar structures result in the formation of a reactive AlInSb layer at the interface. This interlayer progressively consumes the whole Al film, resulting in a disordered AlInSb layer after few months at room temperature. We report on a heterostructure design that results in a significant increase of t…
Graphene/ferromagnet interface promises a plethora of new science and technology. The interfacial Dzyaloshinskii Moriya interaction (iDMI) is essential for stabilizing chiral spin textures, which are important for future spintronic devices. Here, we report direct observation of iDMI in graphene/Ni80Fe20/Ta heterostructure from non-reciprocity in spin-wave dispersion using Brillouin light scattering (BLS) technique. Linear scaling of iDMI with the inverse of Ni80Fe20 thicknesses suggests primarily interfacial origin of iDMI. Both iDMI and spin-mixing conductance increase with the increase in de…
Surface plasmon polaritons in graphene couple strongly to surface phonons in polar substrates leading to hybridized surface plasmon-phonon polaritons (SPPPs). We demonstrate that a surface acoustic wave (SAW) can be used to launch propagating SPPPs in graphene/h-BN heterostructures on a piezoelectric substrate like AlN, where the SAW-induced surface modulation acts as a dynamic diffraction grating. The efficiency of the light coupling is greatly enhanced by the introduction of the h-BN film as compared to the bare graphene/AlN system. The h-BN interlayer not only significantly changes the disp…
Atomically thin layered van der Waals heterostructures feature exotic and emergent optoelectronic properties. With growing interest in these novel quantum materials, the microscopic understanding of fundamental interfacial coupling mechanisms is of capital importance. Here, using multidimensional photoemission spectroscopy, we provide a layer- and momentum-resolved view on ultrafast interlayer electron and energy transfer in a monolayer-WSe$_2$/graphene heterostructure. Depending on the nature of the optically prepared state, we find the different dominating transfer mechanisms: while electron…
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…
Novel phenomena appear when two different oxide materials are combined together to form an interface. For example, at the interface of LaAlO3/SrTiO3, two dimensional conductive states form to avoid the polar discontinuity and magnetic properties are found at such interface. In this work, we propose a new type of interface between two nonmagnetic and nonpolar oxides that could host a conductive state with magnetic properties, where it is the ferroelectric polarization discontinuity instead of the polar discontinuity that leads to the charge transfer, forming the interfacial conductive or magnet…
In this study,we combined time-resolved terahertz spectroscopy along with transient absorption spectroscopy to revisit the interlayer non-equilibrium carrier dynamics in largely lateral size Gr/MoS2 heterostructure fabricated with chemical vapor deposition method. Our experimental results reveal that, with photon-energy below the A-exciton of MoS2 monolayer, hot electrons transfer from graphene to MoS2 takes place in time scale of less than 0.5 ps, resulting in ultrafast formation of interfacial exciton in the heterostructure, subsequently, recombination relaxation of the interfacial exciton o…
Heterostructures of 2D van der Waals semiconductor materials offer a diverse playground for exploring fundamental physics and potential device applications. In InSe/GaSe heterostructures formed by sequential mechanical exfoliation and stacking of 2D monochalcogenides InSe and GaSe, we observe charge transfer between InSe and GaSe due to the 2D van der Waals interface formation and a strong hysteresis effect in the electron transport through the InSe layer when a gate voltage is applied through the GaSe layer. A gate voltage dependant conductance decay rate is also observed. We relate these obs…
Descriptor-Based Classification of Interfacial Electronic Coupling in Janus XP3-Based 2D Heterostructures
Instituto de Física, Universidade Federal de Mato Grosso（马托格罗索联邦大学物理研究所）；National Institute of Science and Technology on Materials Informatics（材料信息学国家科学与技术研究所）；Instituto Federal de Educação, Ciência e Tecnologia do Triângulo Mineiro（米纳斯吉拉斯三角区联邦教育、科学与技术学院）；Departamento de Física,Universidade Federal de Lavras（拉夫拉斯联邦大学物理系）
Interfacial chirality-induced magnetic-field-free switching with high energy efficiency in all-vdW heterostructures
Seoul National University（首尔大学）；Pohang University of Science and Technology（浦项科技大学）；Kyungpook National University（庆北国立大学）；Washington University in St. Louis（圣路易斯华盛顿大学）；University of California（加州大学）；Oak Ridge National Laboratory（橡树岭国家实验室）
Igniting interface magnetic ordering of magnetic topological insulators by building a van der Waals heterostructure can help to reveal novel quantum states and design functional devices. Here, we observe an interesting exchange bias effect, indicating successful interfacial magnetic coupling, in CrI3/MnBi2Te4 ferromagnetic insulator/antiferromagnetic topological insulator (FMI/AFM-TI) heterostructure devices. The devices originally exhibit a negative exchange bias field, which decays with increasing temperature and is unaffected by the back-gate voltage. When we change the device configuration…
Owing to its outstanding electronic properties, black phosphorus (BP) is considered as a promising material for next-generation optoelectronic devices. In this work, devices based on BP/MXene (Zrn+1CnT2, T = O, F, OH, n = 1, 2) van der Waals (vdW) heterostructures are designed via first-principles calculations. Zrn+1CnT2 compositions with appropriate work functions lead to the formation of Ohmic contact with BP in the vertical direction. Low Schottky barriers are found along the lateral direction in BP/Zr2CF2, BP/Zr2CO2H2, BP/Zr3C2F2, and BP/Zr3C2O2H2 bilayers, and BP/Zr3C2O2 even exhibits Ohm…
Interfacial perpendicular magnetic anisotropy, which is characterized by the first-order (K1) and second-order (K2) anisotropies, is the core phenomenon for nonvolatile magnetic devices. A sizable K2 satisfying a specific condition stabilizes the easy-cone state, where equilibrium magnetization forms at an angle from the film normal. The easy-cone state offers intriguing possibilities for advanced spintronic devices and unique spin textures, such as spin superfluids and easy-cone domain walls. Experimental realization of the easy-cone state requires understanding the origin of K2, thereby enha…
