Search Results (64)

Van der Waals (vdW) multiferroic tunnel junctions (MFTJs) based on two-dimensional layered materials have emerged as a promising platform for next-generation non-volatile memory devices. In this work, we propose and theoretically investigate a high-performance all-vdW MFTJ consisting of a sliding ferroelectric bilayer GeC barrier sandwiched between asymmetric ferromagnetic metallic electrodes, Fe₃GaTe₂ and Fe₃GeTe₂. Using first-principles calculations combined with the non-equilibrium Green’s function (NEGF) method, we demonstrate that the bilayer GeC possesses robust vertical ferroelectricity switchable by interlayer sliding. By incorporating monolayer graphene as protective layers to mitigate metal-induced gap states, the device preserves the intrinsic ferroelectric polarization of the barrier. Our results reveal that four distinct non-volatile resistance states can be realized by independently manipulating the ferroelectric polarization and magnetization configurations. Remarkably, the device exhibits a giant Tunneling Magnetoresistance (TMR) ratio of up to 750.95% and a large Tunneling Electroresistance (TER) ratio of 322.97%. Furthermore, we observe perfect spin-filtering efficiency and a significant negative differential resistance (NDR) effect under finite bias voltage. These findings suggest that the Fe₃GaTe₂/graphene/bilayer-GeC/graphene/Fe₃GeTe₂ heterostructure is a compelling candidate for multifunctional spintronic applications in the post-Moore era. Full article

Ultrathin ferrimagnetic heterostructures have emerged as promising platforms for next-generation spintronic devices, yet the role of two-dimensional substrates in modulating their magnetic properties remains underexplored. Here, we report a comprehensive study of the thickness- and temperature-dependent magnetic behavior of amorphous Fe₇₃Co₈Gd₁₉ films (4–32 nm) deposited on Si, WSe₂ bilayer, and WSe₂ monolayer substrates. Structural integrity and stoichiometry were confirmed via X-Ray Diffraction (XRD), X-Ray Reflectivity (XRR), Raman spectroscopy, and Energy-Dispersive Spectroscopy (EDS) analysis. In-plane magnetometry from 10–300 K reveals that monolayer WSe₂ promotes stronger interfacial spin alignment, with the 4 nm film exhibiting a sharp increase in coercivity below 50 K, where $H_c$ exceeds 23 mT and even surpasses thicker counterparts, alongside enhanced saturation magnetization (∼790 kA/m at 100 K). This dramatic enhancement of coercivity is the most significant result of this work, underscoring the dominant role of interfacial coupling in governing low-temperature magnetic hardness. Conversely, films on bilayer exhibit suppressed magnetization and soft magnetic behavior ($H_c$ < 10 mT) across all temperatures, making them attractive for ultralow-power and high-speed spintronic applications. These findings demonstrate that atomically thin WSe₂ interfaces can modulate coercivity, magnetization, and squareness through proximity effects, establishing a tunable and thermally stable platform for spintronic device applications. Full article

While graphene-based lubricants are well-studied, the tribological potential of emerging carbon–nitride and carbon–boron 2D materials remains largely unexplored. Herein, by using first-principles calculations implemented in the VASP code, we systematically explored the interlayer interactions and frictional properties of bilayer homojunctions and heterostructures composed of graphene, C₃N, and C₃B. The DFT-D3 dispersion correction was employed to accurately capture the interlayer van der Waals forces. The results reveal that C₃N/C₃N, C₃N/graphene (C₃N/Gra), and C₃B/graphene (C₃B/Gra) systems exhibit significantly lower friction coefficients compared to pristine bilayer graphene (Gra/Gra). Notably, the sliding potential barrier of the C₃N/Gra heterostructure is only ~0.45 meV/atom (approximately 1/10 that of the Gra/Gra system), manifesting exceptional superlubricity and considerable potential for superlubricant applications. The sliding potential barrier of the C₃B/C₃N heterostructure is slightly smaller than that of Gra/Gra. In contrast, the C₃B/C₃B homojunction exhibits high resistance to sliding; under normal loads of 1–4 nN, its potential barrier ranges from ~16 to ~115 meV/atom, which is consistently twice that of Gra/Gra. The observed frictional variations are attributed to sliding-induced interfacial charge redistribution. These findings provide fundamental insights into the tribological behavior of C₃N- and C₃B-based materials and establish a quantitative link between frictional properties and interfacial charge dynamics, offering a theoretical basis for the development of advanced graphene-derived lubricants. Full article

Twisted graphene/hexagonal boron nitride (TG/hBN) bilayers, with their tunable moiré potential and atomically clean interfaces, offer an ideal platform for high-performance single-electron transistors (SET). Combining quantum transport simulations with first-principles calculations, we systematically investigate how stackings (AA, AB, BA), twist angles, quantum dot sizes, and gate-island coupling jointly modulate SET performance. Our central finding reveals a clear hierarchy: quantum dot size and stacking configuration dominate charge stability and transport, while twist angle introduces precise control of charge state. All stackings exhibit sharp, symmetric Coulomb blockade peaks, confirming stable single-electron tunneling, and gate coupling remains highly linear across parameters. Strikingly, only AA-stacked devices show a systematic twist-angle-dependent shift in conductance peaks, a direct signature of its perfect atomic registry and extreme angular sensitivity. This work establishes an idealized “size-, stacking-, and twist-angle modulation” design principle and theoretical roadmap based on TG/hBN, providing fundamental insights for future experimental exploration of tunable, low-noise quantum-electronic devices from twisted 2D heterostructures. Full article

Van der Waals (vdW) heterostructures formed by stacking two distinct semiconductor monolayers have gained increasing research interest because of the various predicted and realized exotic phenomena that are absent in the corresponding monolayers. However, constructing such a vdW hetero-bilayer is very challenging and mostly relies on top-down mechanical methods. Here, we report a direct growth of an SnSe₂/SnSe hetero-bilayer by using molecular beam epitaxy (MBE), in which elaborate interface engineering is the key to success. Scanning tunneling microscopy (STM) characterization demonstrated the well-defined and uniform moiré patterns, indicating an atomic-scale clean and uniform SnSe₂/SnSe interface. In combination with first-principles density functional theory (DFT) calculations, we further unveiled a type-III band gap alignment between the SnSe₂ and SnSe monolayers. This work provides a new method for building vertical SnSe₂/SnSe hetero-bilayers and a novel platform for exploring functional devices based on the type-III band alignment. Full article

Metal-oxide heterostructures represent an effective strategy to overcome the limitations of pristine TiO₂, including its ultraviolet-only light absorption and rapid electron–hole recombination, which hinder its performance in solar-driven applications. Among various configurations, coupling TiO₂ with tungsten oxide (WO_x) forms a favorable type-II band alignment that enhances charge separation. However, a comprehensive understanding of how WO_x overlayer thickness affects the optical and photoelectrochemical (PEC) behavior of device-grade thin films remains limited. In this study, bilayer TiO₂/WO_x heterostructures were fabricated via reactive DC magnetron sputtering, with controlled variation in WO_x thickness to systematically investigate its influence on the structural, optical, and PEC properties. Adjusting the WO_x deposition time enabled precise tuning of light absorption, interfacial charge transfer, and donor density, resulting in markedly distinct PEC responses. The heterostructure obtained with 30 min of WO_x deposition demonstrated a significant enhancement in photocurrent density under AM 1.5G illumination, along with reduced charge-transfer resistance and improved capacitive behavior, indicating efficient charge separation and enhanced charge storage at the electrode–electrolyte interface. These findings underscore the potential of sputtered TiO₂/WO_x bilayers as advanced photoanodes for solar-driven hydrogen generation and light-assisted energy storage applications. Full article

Plasmonic metasurfaces that convert hydrogen-induced dielectric changes into optical signals hold promise for next-generation hydrogen sensors. Here, we employ simulations and theoretical analysis to systematically assess single-layer, bilayer, and trilayer nanodisk arrays comprising magnesium, palladium, and noble metals. Although monolithic Mg nanodisks show strong optical contrast after hydrogenation, the corresponding surface plasmon resonance disappears completely, preventing quantitative spectral tracking. In contrast, bilayer heterostructures, particularly those combining Mg and Au, achieve a resonance red-shift of Δλ = 62 nm, a narrowed full width at half maximum (FWHM) of 207 nm, and a figure of merit (FoM) of 0.30. Notably, the FoM is boosted by up to 15-fold when tuning both material choice and stacking sequence (from Mg-Ag to Au-Mg), underscoring the critical role of interface engineering. Trilayer “sandwich” architectures further amplify performance, achieving a max 10-fold and 13-fold enhancement in Δλ and FoM, respectively, relative to its bilayer counterpart. Particularly, the trilayer Mg-Au-Mg reaches Δλ = 120 nm and FoM = 0.41, outperforming most previous plasmonic hydrogen sensors. These enhancements arise from maximized electric-field overlap with dynamically changing dielectric regions at noble-metal–hydride interfaces, as confirmed by first-order perturbation theory. These results indicate that multilayer designs combining Mg and noble metals can simultaneously maximize hydrogen-induced spectral shifts and signal quality, providing a practical pathway toward high-performance all-optical hydrogen sensors. Full article

As the scaling of silicon-based CMOS technology approaches its physical limits, two-dimensional (2D) materials have emerged as promising alternatives for future electronic devices. Among them, MoS₂ is a leading candidate due to its fascinating semiconducting nature and compatibility with CMOS processes. However, high contact resistance at the metal–MoS₂ interface remains a major bottleneck, limiting device performance. In this study, we report the fabrication and characterization of graphene–MoS₂ (Gr–MoS₂) lateral heterostructure FETs, where monolayer graphene, synthesized by inductively coupled plasma chemical vapor deposition (ICP-CVD), is directly used as the source and drain. Bilayer MoS₂ is selectively grown along graphene edges via edge-guided CVD, forming a chemically bonded in-plane junction without transfer steps. Electrical measurements reveal that the Gr–MoS₂ FETs exhibit a threefold increase in average field-effect mobility (3.9 vs. 1.1 cm² V⁻¹ s⁻¹) compared to conventional MoS₂ FETs. Y-function analysis shows that the contact resistance is significantly reduced from 85.8 kΩ to 20.5 kΩ at V_G = 40 V. These improvements are attributed to the replacement of the conventional metal–MoS₂ contact with a graphene–metal contact. Our results demonstrate that lateral heterostructure engineering with graphene provides an effective and scalable strategy for high-performance 2D electronics. Full article

Addressing global energy and environmental issues calls for the development of effective photocatalysts capable of enabling solar-driven water splitting, a key route toward sustainable hydrogen generation. In this work, we conducted a detailed density functional theory (DFT) study on three bilayer van der Waals (vdW) heterojunctions, Ga₂SSe/GaP, Ga₂SSe/PtSSe, and Ga₂SSe/SnSSe, each explored in four distinct stacking configurations, with Ga₂SSe serving as the base monolayer. We assessed their structural stability, electronic properties, and optical responses to determine their suitability for photocatalytic water splitting. The analysis showed that Ga₂SSe/GaP and Ga₂SSe/SnSSe exhibit type-II band alignment, while Ga₂SSe/PtSSe displays a type-I alignment. Electrostatic potential profiles and Bader charge calculations identified SeGa₂S/SSnSe and SeGa₂S/SeSnS as direct Z-scheme systems, offering efficient charge carrier separation and robust redox potential. For effective water splitting, the band edges must straddle the water redox potentials. Our results indicate that configurations A and B in Ga₂SSe/GaP, along with C and D in Ga₂SSe/SnSSe, fulfill this requirement. These four configurations also exhibit strong absorption in both the visible and ultraviolet spectral ranges. Notably, configurations C and D of Ga₂SSe/SnSSe achieve high solar-to-hydrogen (STH) efficiencies, reaching 38.44% and 21.75%, respectively. Overall, our findings suggest that these direct Z-scheme heterostructures are promising candidates for water splitting photocatalysis. Full article

Spin transport behaviors in heavy metal/ferromagnetic insulator (HM/FI) bilayers have attracted considerable attention due to various novel phenomena and applications in spintronic devices. Herein, we investigate the planar Hall effect (PHE) in Pt/Tm₃Fe₅O₁₂ (Pt/TmIG) heterostructures at low temperatures; moment switching in the ferrimagnetic insulator TmIG is detected by using electrical measurements. Double switching hysteresis PHE curves are found in Pt/TmIG bilayers, closely related to the magnetic moment of Tm³⁺ ions, which makes a key contribution to the total magnetic moment of TmIG film at low temperature. More importantly, a magnetoresistance (MR) curve with double switching is found, which has not been reported in this simple HM/FI bilayer, and the sign of this MR effect is sensitive to the angle between the magnetic field and current directions. Our findings of these effects in this HM/rare earth iron garnet (HM/REIG) bilayer provide insights into tuning the spin transport properties of HM/REIG by changing the rare earth. Full article

Van der Waals (vdW) heterostructures, typically composed of two-dimensional (2D) atomic layers, have attracted significant attention over the past few decades. Their performance is closely dependent on their composition and interlayer interactions. In this study, we constructed four types of 2D hexagonal BP monolayer (h-BP)/borophosphene vdW heterostructures with different stacking orders: (i) B-B stacking, (ii) P-P stacking, (iii) moire-I, and (iv) moire-II. Their structural stability and their electronic and optical properties were explored by using first-principles calculations. The results show that h-BP/borophosphene heterostructures can maintain their configurations with good structural stability and minimal lattice mismatch. All vdW heterostructures exhibit semiconducting characteristics, and their band gaps are highly dependent on interlayer stacking orders. Due to the regular atomic arrangement and enhanced interlayer dipole interactions, the B-B stacking bilayer opens a relatively large band gap of 0.157 eV, while the moire-II bilayer exhibits a very small band gap of 0.045 eV because of its irregular atom arrangements. By calculating the complex dielectric function, optical absorption spectra of B-B and P-P stacking bilayers were discussed. This study suggests that h-BP/borophosphene heterostructures have desirable optical properties, broadening the potential applications of the constituent monolayers. Full article

Recent achievements in ultrafast spin physics have enabled the use of heterostructures composed of ferromagnetic (FM)/non-magnetic (NM) thin layers for terahertz (THz) generation. The mechanism of THz emission from FM/NM multilayers has been typically ascribed to the inverse spin Hall effect (ISHE). In this work, we probe the mechanism of the ISHE by inserting a second ferromagnetic layer in the form of an alloy between the FM/NM system. In particular, by utilizing the co-sputtering technique, we fabricate Fe/L1₀-FePt/Pt ultra-thin heterostructures. We successfully grow the tetragonal phase of FePt (L1₀-phase) as revealed by X-ray diffraction and reflection techniques. We show the strong magnetic coupling between Fe and L1₀-FePt using magneto-optical and Superconducting Quantum Interference Device (SQUID) magnetometry. Subsequently, by utilizing THz time domain spectroscopy technique, we record the THz emission and thus we the reveal the efficiency of spin-to-charge conversion in Fe/L1₀-FePt/Pt. We establish that Fe/L1₀-FePt/Pt configuration is significantly superior to the Fe/Pt bilayer structure, regarding THz emission amplitude. The unique trilayer structure opens new perspectives in terms of material choices for the future spintronic THz sources. Full article

Two-dimensional (2D) hybrid organic–inorganic perovskites (HOIPs) have attracted considerable attention in optoelectronic applications, owing to their remarkable characteristics. Nevertheless, the application of 2D HOIPs encounters inherent challenges due to the presence of insulating organic spacers, which create barriers for efficient interlayer charge transport (CT). To tackle this issue, we propose a BA₂MAPb₂I₇/PEA₂MA₂Pb₃I₁₀ bilayer heterostructure, where efficient interlayer energy transfer (ET) facilitates compensation for the restricted charge transport across the organic spacer. Our findings reveal that under 532 nm light illumination, the BA₂MAPb₂I₇/PEA₂MA₂Pb₃I₁₀ heterostructure photodetector exhibits a significant photocurrent enhancement compared with that of the pure PEA₂MA₂Pb₃I₁₀ device, mainly due to the contribution of the ET process. In contrast, under 600 nm light illumination, where ET is absent, the enhancement is rather limited, emphasizing the critical role of ET in boosting device performance. The overlap of the PL emission peak of BA₂MAPb₂I₇ with the absorption spectra of PEA₂MA₂Pb₃I₁₀, alongside the PL quenching of BA₂MAPb₂I₇ and the enhanced emission of PEA₂MA₂Pb₃I₁₀ provide confirmation of the existence of ET in the BA₂MAPb₂I₇/PEA₂MA₂Pb₃I₁₀ heterostructure. Furthermore, the PL enhancement factor followed a 1/d² relationship with the thickness of the hBN layer, indicating that ET originates from 2D-to-2D dipole–dipole coupling. This study not only highlights the potential of leveraging ET mechanisms to overcome the limitations of interlayer CT, but also contributes to the fundamental understanding required for engineering advanced 2D HOIP optoelectronic systems. Full article

In response to escalating global energy demands and environmental challenges, electrochromic (EC) smart windows have emerged as a transformative technology for adaptive solar modulation. Herein, we report the rational design and fabrication of a bilayer WO₃/TiO₂ heterostructure via a synergistic two-step strategy involving the electrochemical deposition of amorphous WO₃ and the controlled hydrothermal crystallization of TiO₂. Structural and morphological analyses confirm the formation of phase-pure heterostructures with a tunable TiO₂ crystallinity governed by reaction time. The optimized WTi-5 configuration exhibits a hierarchically organized nanostructure that couples the fast ion intercalation dynamics of amorphous WO₃ with the interfacial stability and electrochemical modulation capability of crystalline TiO₂. Electrochromic characterization reveals pronounced redox activity, a high charge reversibility (98.48%), and superior coloration efficiency (128.93 cm²/C). Optical analysis confirms an exceptional transmittance modulation (ΔT = 82.16% at 600 nm) and rapid switching kinetics (coloration/bleaching times of 15.4 s and 6.2 s, respectively). A large-area EC device constructed with the WTi-5 electrode delivers durable performance, with only a 3.13% degradation over extended cycling. This study establishes interface-engineered WO₃/TiO₂ bilayers as a scalable platform for next-generation smart windows, highlighting the pivotal role of a heterostructure design in uniting a high contrast, speed, and longevity within a single EC architecture. Full article

WO₃ electrochromic films have emerged as potential candidates for smart windows due to their cost-effectiveness, fast switching speed, and strong chemical stability. However, the inherent contradiction between the high coloring efficiency of amorphous WO₃ and the cycling durability of crystalline WO₃ remains a critical challenge in practical applications. This study proposes an innovative heterostructure engineering strategy, achieving precise control of the amorphous/crystalline bilayer WO₃ heterointerface (148 nm a-WO₃/115 nm c-WO₃) for the first time through phase boundary regulation, using well-controlled magnetron sputtering and post-deposition thermal annealing processes. Multimodal characterization using XRD, XPS, and SEM indicates that the heterointerface optimizes performance through a dynamic charge transfer mechanism and structural synergistic effects: the optimized bilayer structure achieves 76.57% optical modulation (at 630 nm) under −1.0 V and maintains a ΔT retention rate of 45.02% after 600 cycles, significantly outperforming single amorphous (8.34%) and crystalline films (14.34%). XPS analysis reveals a dynamic equilibrium mechanism involving W⁵⁺/Li⁺ at the interface, and the Li⁺ diffusion coefficient (D₀ = 4.29 × 10⁻¹⁰ cm²/s) confirms that the amorphous layer dominates rapid ion transport, while the crystalline matrix enhances structural stability through its ordered crystalline structure. This study offers a new paradigm for balancing the efficiency and longevity of electrochromic devices, with the compatibility of magnetic sputtering promoting the industrialization process of large-area smart windows. Full article