Sliding Memristor in Parallel-Stacked Hexagonal Boron Nitride.

Sliding ferroelectricity in 2D materials, arising from interlayer sliding-induced interlayer hybridization and charge redistribution at the van der Waals interface, offers a means to manipulate spontaneous polarization at the atomic scale through various methods such as stacking order, interfacial contact, and electric field. However, the practical application of extending 2D sliding ferroelectricity remains challenging due to the contentious mechanisms and the complex device structures required for ferroelectric switching. Here, a sliding memristor based on a graphene/parallel-stacked hexagonal boron nitride/graphene tunneling device, featuring a stable memristive hysteresis induced by interfacial polarizations and barrier height modulations, is presented. As the tunneling current density increases, the memristive window broadens, achieving an on/off ratio of ≈103 and 2 order decrease of the trigger current density, attributed to the interlayer migration of positively charged boron ions and the formation of conductive filaments, as supported by the theoretical calculations. The findings open a path for exploring the sliding memristor via a tunneling device and bridge the gap between sliding ferroelectricity and memory applications.

Stacking-dependent interlayer magnetic interactions in CrSe2.

Recently, CrSe2, a new ferromagnetic van der Waals two-dimensional material, was discovered to be highly stable under ambient conditions, making it an attractive candidate for fundamental research and potential device applications. Here, we study the interlayer interactions of bilayer CrSe2using first-principles calculations. We demonstrate that the interlayer interaction depends on the stacking structure. The AA and AB stackings exhibit antiferromagnetic (AFM) interlayer interactions, while the AC stacking exhibits ferromagnetic (FM) interlayer interaction. Furthermore, the interlayer interaction can be further tuned by tensile strain and charge doping. Specifically, under large tensile strain, most stacking structures exhibit FM interlayer interactions. Conversely, under heavy electron doping, all stacking structures exhibit AFM interlayer interactions. These findings are useful for designing spintronic devices based on CrSe2.

Gap State-Modulated Van Der Waals Short-Term Memory with Broad Band Negative Photoconductance.

Floating gate memory (FGM), composed of van der Waals (vdW) junctions with an atomically thin floating layer for charge storage, is widely employed to develop logic-in memories and in-sensor computing devices. Most research efforts of FGM are spent on achieving long-term charge storage and fast reading/writing for flash and random-access memory. However, dynamic modulation of memory time via a tunneling barrier and vdW interfaces, which is critical for synaptic computing and machine vision, is still lacking. Here, a van der Waals short-term memory with tunable memory windows and retention times from milliseconds to thousands of seconds is reported, which is approximately exponentially proportional to the thickness h-BN (hexagonal boron nitride) barrier. The specific h-BN barrier with fruitful gap states provides charge release channels for trapped charges, making the vdW device switchable between positive photoconductance and negative photoconductance with a broadband light from IR to UV range. The dynamic short-term memory with tunable photo response highlights the design strategy of novel vdW memory vis interface engineering for further intelligent information storage and optoelectronic detection.

Robust Two-Dimensional Ferromagnetism in Cr5Te8/CrTe2 Heterostructure with Curie Temperature above 400 K.

The discovery of ferromagnetism in two-dimensional (2D) van der Waals crystals has generated widespread interest. The seeking of robust 2D ferromagnets with high Curie temperature (Tc) is vitally important for next-generation spintronic devices. However, owing to the enhanced spin fluctuation and weak exchange interaction upon the reduced dimensionalities, the exploring of robust 2D ferromagnets with Tc > 300 K is highly demanded but remains challenging. In this work, we fabricated air-stable 2D Cr5Te8/CrTe2 vertical heterojunctions with Tc above 400 K by the chemical vapor deposition method. Transmission electron microscopy demonstrates a high-quality-crystalline epitaxial structure between tri-Cr5Te8 and 1T-CrTe2 with striped moiré patterns and a superior ambient stability over six months. A built-in dual-axis strain together with strong interfacial coupling cooperatively leads to a record-high Tc for the CrxTey family. A temperature-dependent spin-flip process induces the easy axis of magnetization to rotate from the out-of-plane to the in-plane direction, indicating a phase-dependent proximity coupling effect, rationally interpreted by first-principles calculations of the magnetic anisotropy of a tri-Cr5Te8 and 1T-CrTe2 monolayer. Our results provide a material realization of effectively enhancing the transition temperature of 2D ferromagnetism and manipulating the spin-flip of the easy axis, which will facilitate future spintronic applications.

Polar metals in strain-engineered KNbO3/CaNbO3 superlattices: a first-principles study.

Polar metals have generated significant interest since the ferroelectric-like structural transition in metallic LiOsO3 was discovered. Herein, we report on a strain-modulated polar metal in the ferroelectric/metal superlattice of 1 : 1 KNbO3/CaNbO3. Using first-principles calculations, we have investigated the structural distortions, including polar distortions and octahedral rotations, and layer-by-layer electronic structures in the KNbO3/CaNbO3 superlattice under different epitaxial strains. Along the stacking direction, the superlattice has almost parallel polar displacements under compressive strain, whereas both in-plane and out-of-plane antiferroelectric-like polar displacements are robust under intermediate strain, which is connected to the octahedral tilting pattern and interlayer electron transfer. In addition, the in-plane polar distortions are enhanced by tensile strains and have a sudden increase at 4% tensile strain. The metallicity is mainly contributed by d electrons from Nb atoms. And orbital-resolved electron distributions in each layer show that d-orbital splitting is related not only to the epitaxial strain but also to the direction of polar displacements. Our results suggest an efficient way to tune polar distortions as well as local metallicity via epitaxial strains in the superlattice.

Intrinsic surface p-wave superconductivity in layered AuSn4.

The search for topological superconductivity (TSC) is currently an exciting pursuit, since non-trivial topological superconducting phases could host exotic Majorana modes. However, the difficulty in fabricating proximity-induced TSC heterostructures, the sensitivity to disorder and stringent topological restrictions of intrinsic TSC place serious limitations and formidable challenges on the materials and related applications. Here, we report a new type of intrinsic TSC, namely intrinsic surface topological superconductivity (IS-TSC) and demonstrate it in layered AuSn4 with Tc of 2.4 K. Different in-plane and out-of-plane upper critical fields reflect a two-dimensional (2D) character of superconductivity. The two-fold symmetric angular dependences of both magneto-transport and the zero-bias conductance peak (ZBCP) in point-contact spectroscopy (PCS) in the superconducting regime indicate an unconventional pairing symmetry of AuSn4. The superconducting gap and surface multi-bands with Rashba splitting at the Fermi level (EF), in conjunction with first-principle calculations, strongly suggest that 2D unconventional SC in AuSn4 originates from the mixture of p-wave surface and s-wave bulk contributions, which leads to a two-fold symmetric superconductivity. Our results provide an exciting paradigm to realize TSC via Rashba effect on surface superconducting bands in layered materials.

Semiconductor-Metal Phase Transition and Emergent Charge Density Waves in 1T-ZrX2 (X = Se, Te) at the Two-Dimensional Limit.

A charge density wave (CDW) is a collective quantum phenomenon in metals and features a wavelike modulation of the conduction electron density. A microscopic understanding and experimental control of this many-body electronic state in atomically thin materials remain hot topics in materials physics. By means of material engineering, we realized a dimensionality and Zr intercalation induced semiconductor-metal phase transition in 1T-ZrX2 (X = Se, Te) ultrathin films, accompanied by a commensurate 2 × 2 CDW order. Furthermore, we observed a CDW energy gap of up to 22 meV around the Fermi level. Fourier-transformed scanning tunneling microscopy and angle-resolved photoemission spectroscopy reveal that 1T-ZrX2 films exhibit the simplest Fermi surface among the known CDW materials in TMDCs, consisting only of a Zr 4d derived elliptical electron conduction band at the corners of the Brillouin zone.

Direct Growth of van der Waals Tin Diiodide Monolayers.

Two-dimensional (2D) van der Waals (vdW) materials have garnered considerable attention for their unique properties and potentials in a wide range of fields, which include nano-electronics/optoelectronics, solar energy, and catalysis. Meanwhile, challenges in the approaches toward achieving high-performance devices still inspire the search for new 2D vdW materials with precious properties. In this study, via molecular beam epitaxy, for the first time, the vdW SnI2 monolayer is successfully fabricated with a new structure. Scanning tunneling microscopy/spectroscopy characterization, as corroborated by the density functional theory calculation, indicates that this SnI2 monolayer exhibits a band gap of ≈2.9 eV in the visible purple range, and an indirect- to direct-band gap transition occurs in the SnI2 bilayer. This study provides a new semiconducting 2D material that is promising as a building block in future electronics/optoelectronics.

Direct identification of Mott Hubbard band pattern beyond charge density wave superlattice in monolayer 1T-NbSe2.

Understanding Mott insulators and charge density waves (CDW) is critical for both fundamental physics and future device applications. However, the relationship between these two phenomena remains unclear, particularly in systems close to two-dimensional (2D) limit. In this study, we utilize scanning tunneling microscopy/spectroscopy to investigate monolayer 1T-NbSe2 to elucidate the energy of the Mott upper Hubbard band (UHB), and reveal that the spin-polarized UHB is spatially distributed away from the dz2 orbital at the center of the CDW unit. Moreover, the UHB shows a √3 × âˆš3 R30° periodicity in addition to the typically observed CDW pattern. Furthermore, a pattern similar to the CDW order is visible deep in the Mott gap, exhibiting CDW without contribution of the Mott Hubbard band. Based on these findings in monolayer 1T-NbSe2, we provide novel insights into the relation between the correlated and collective electronic structures in monolayer 2D systems.

Hydrogen Clathrate Structures in Uranium Hydrides at High Pressures.

Room-temperature superconductivity has always been an area of intensive research. Recent findings of clathrate metal hydrides structures have opened up the doors for achieving room-temperature superconductivity in these materials. Here, we report first-principles calculations for stable H-rich clathrate structures of uranium hydrides at high pressures. The clathrate uranium hydrides contain H cages with stoichiometries of H24, H29, and H32, in which H atoms are bonded covalently to other H atoms, and U atoms occupy the centers of the cages. Especially, a UH10 clathrate structure containing H32 cages is predicted to have an estimated T c higher than 77 K at high pressures.

Soft-Mode-Phonon-Mediated Unconventional Superconductivity in Monolayer 1T

Recent experiments have tuned the monolayer 1T^{'}-WTe_{2} to be superconducting by electrostatic gating. Here, we theoretically study the phonon-mediated superconductivity in monolayer 1T^{'}-WTe_{2} via charge doping. We reveal that the emergence of soft-mode phonons with specific momentum is crucial to give rise to the superconductivity in the electron-doping regime, whereas no such soft-mode phonons and no superconductivity emerge in the hole-doping regime. We also find a superconducting dome, which can be attributed to the change of Fermi surface nesting conditions with electron doping. By taking into account the experimentally established strong anisotropy of temperature-dependent upper critical field H_{c2} between the in-plane and out-of-plane directions, we show that the superconducting state probably has the unconventional equal-spin-triplet pairing in the A_{u} channel of the C_{2h} point group. Our studies provide a promising understanding to the doping dependent superconductivity and strong anisotropy of H_{c2} in monolayer 1T^{'}-WTe_{2}, and can be extended to understand the superconductivity in other gated transition metal dichalcogenides.

High-Temperature Quantum Anomalous Hall Insulators in Lithium-Decorated Iron-Based Superconductor Materials.

Quantum anomalous Hall (QAH) insulator is the key material to study emergent topological quantum effects, but its ultralow working temperature limits experiments. Here, by first-principles calculations, we find a family of stable two-dimensional (2D) structures generated by lithium decoration of layered iron-based superconductor materials Fe X(X=S,Se,Te), and predict room-temperature ferromagnetic semiconductors together with large-gap high-Chern-number QAH insulators in the 2D materials. The extremely robust ferromagnetic order is induced by the electron injection from Li to Fe and stabilized by strong ferromagnetic kinetic exchange in the 2D Fe layer. While in the absence of spin-orbit coupling (SOC), the ferromagnetism polarizes the system into a half Dirac semimetal state protected by mirror symmetry, the SOC effect results in a spontaneous breaking of mirror symmetry and introduces a Dirac mass term, which creates QAH states with sizable gaps (several tens of meV) and multiple chiral edge modes. We also find a 3D QAH insulator phase featured by a macroscopic number of chiral conduction channels in bulk LiOH-LiFe X. The findings open new opportunities to realize novel QAH physics and applications at high temperatures.

Temperature effect on the phase stability of hydrogen C2/c phase from first-principles molecular dynamics calculations.

The structural stability of hydrogen C2/c phase from 0 K to 300 K is investigated by combining the first-principles molecular dynamics (MD) simulations and density functional perturbation theory. Without considering the temperature effect, the C2/c phase is stable from 150 GPa to 250 GPa based on the harmonic phonon dispersion relations. The hydrogen molecules at the solid lattice sites are sensitive to temperature. The structural stability to instability transition of the C2/c phase upon temperature is successfully captured by the radial distribution function and probability distribution of atomic displacements from first-principles MD simulations, confirmed by the phonon power spectrum analysis in the phase space. The existence of phonon quasiparticle for different normal modes is observed directly. The phonon power spectrum of specific normal modes corresponding to the Raman and infrared (IR) activations are depicted at different temperatures and pressures. The changes of frequency with temperature are in agreement with experimental results, supporting the C2/c as the hydrogen phase III. For the first time, the anharmonic phonon dispersion curves and density of states are predicted based on the phonon quasi-particle approach. Therefore, the temperature dependence of lattice vibrations can be observed directly, providing a more complete physical picture of phonon frequency distribution with respect to the Raman and IR spectra. It is found that the high-frequency regions adopt significant frequency shifts compared to the harmonic case.

Robust Hot Electron and Multiple Topological Insulator States in PtBi2.

A two-dimensional topological insulator features (only) one bulk gap with nontrivial topology, which protects one-dimensional boundary states at the Fermi level. We find a quantum phase of matter beyond this category: a multiple topological insulator. It possesses a ladder of topological gaps; each gap protects a robust edge state. We prove a monolayer of van der Waals material PtBi2 as a two-dimensional multiple topological insulator. By means of scanning tunneling spectroscopy, we directly visualize the one-dimensional hot electron (and hole) channels with nanometer size on the samples. Furthermore, we confirm the topological protection of these channels by directly demonstrating their robustness to variations of crystal orientation, edge geometry, and sample temperature. The discovered topological hot electron materials may be applied as efficient photocatalysts in the future.

Signature of Superconductivity in Orthorhombic CoSb Monolayer Films on SrTiO3(001).

We prepare orthorhombic CoSb monolayer films on SrTiO3(001) substrate by molecular beam epitaxy and observe symmetric gap around the Fermi level with coherence peaks at ± (6-7) meV by in situ scanning tunneling spectroscopy. Ex situ magnetization measurements of the films protected by Te and Si films consistently reveal a diamagnetic transition at 14 K. These results suggest the occurrence of superconductivity in orthorhombic CoSb monolayers on SrTiO3(001).

Strongly Compressed Few-Layered SnSe2 Films Grown on a SrTiO3 Substrate: The Coexistence of Charge Ordering and Enhanced Interfacial Superconductivity.

High pressure has been demonstrated to be a powerful approach of producing novel condensed-matter states, particularly in tuning the superconducting transition temperature (Tc) of the superconductivity in a clean fashion without involving the complexity of chemical doping. However, the challenge of high-pressure experiment hinders further in-depth research for underlying mechanisms. Here, we have successfully synthesized continuous layer-controllable SnSe2 films on SrTiO3 substrate using molecular beam epitaxy. By means of scanning tunneling microscopy/spectroscopy (STM/S) and Raman spectroscopy, we found that the strong compressive strain is intrinsically built in few-layers films, with a largest equivalent pressure up to 23 GPa in the monolayer. Upon this, unusual 2 × 2 charge ordering is induced at the occupied states in the monolayer, accompanied by prominent decrease in the density of states (DOS) near the Fermi energy (EF), resembling the gap states of CDW reported in transition metal dichalcogenide (TMD) materials. Subsequently, the coexistence of charge ordering and the interfacial superconductivity is observed in bilayer films as a result of releasing the compressive strain. In conjunction with spatially resolved spectroscopic study and first-principles calculation, we find that the enhanced interfacial superconductivity with an estimated Tc of 8.3 K is observed only in the 1 × 1 region. Such superconductivity can be ascribed to a combined effect of interfacial charge transfer and compressive strain, which leads to a considerable downshift of the conduction band minimum and an increase in the DOS at EF. Our results provide an attractive platform for further in-depth investigation of compression-induced charge ordering (monolayer) and the interplay between charge ordering and superconductivity (bilayer). Meanwhile, it has opened up a pathway to prepare strongly compressed two-dimensional materials by growing onto a SrTiO3 substrate, which is promising to induce superconductivity with a higher Tc.

Selective trapping of hexagonally warped topological surface states in a triangular quantum corral.

The surface of a three-dimensional topological insulator (TI) hosts two-dimensional massless Dirac fermions (DFs), the gapless and spin-helical nature of which leads to their high transmission through surface defects or potential barriers. Here, we report the behaviors of topological surface states (TSS) in a triangular quantum corral (TQC) which, unlike a circular corral, is supposed to be totally transparent for DFs. By real-space mapping of the electronic structure of TQCs, both the trapping and detrapping behaviors of the TSS are observed. The selection rules are found to be governed by the geometry and spin texture of the constant energy contour of TSS upon the strong hexagonal warping in Bi2Te3. Our work indicates the extended nature of TSS and elucidates the selection rules of the trapping of TSS in the presence of a complicated surface state structure, giving insights into the effective engineering of DFs in TIs.

Epitaxial Growth of PbSe Few-Layers on SrTiO3: The Effect of Compressive Strain and Potential Two-Dimensional Topological Crystalline Insulator.

The freestanding PbSe monolayer has been predicted as a candidate of the two-dimensional topological crystalline insulator, which possesses the Dirac-cone-like edge states resided at the edge. Up to now, however, direct experimental evidence of topological PbSe monolayer has not yet been reported. Here, we report the epitaxial growth and scanning tunneling microscopy study of few-layers PbSe islands grown on SrTiO3 substrate. From the investigation of different thickness, we discover the release of compressive strain and the reduction of bandgap as the thickness becomes thick. Following detailed spectroscopic measurements, a signature of Dirac-like edge states is observed at the edge of seventh-layer PbSe. In conjunction with first-principle calculations, we find that compressive-strain-induced buckling adjusts the topological band inversion and eventually leads to a phase transition from nontrivial two-dimensional topological crystalline insulator to trivial insulator, which match well with our experimental observations. Therefore, both theoretical calculations and experimental observations reveal that the strain can effectively affect the property of epitaxial PbSe, meanwhile demonstrate seventh-layer PbSe as a potential candidate of 2D TCI.

De Haas-van Alphen study on three-dimensional topological semimetal pyrite PtBi2.

We present the systematic de Haas-van Alphen (dHvA) quantum oscillations studies on the recently discovered topological Dirac semimetal pyrite PtBi2 single crystals. Remarkable dHvA oscillations are emerged at a low field about 1.5 T. From the analyses of the dHvA oscillations, we extract the high quantum mobilities, light effective masses and phase shift factors for the Dirac fermions in pyrite PtBi2. From the angular dependence of the dHvA oscillations, we map out the topology of the Fermi surface. Furthermore, we identify two additional oscillation frequencies that are not probed by the SdH oscillations, which provides us with opportunities to further understand its Fermi surface topology.