arXiv subjects

Chendong Zhang

Publications and source records attributed to Chendong Zhang.

18 recordsLinked to original sources

arXiv2024

Kagome bands and magnetism in MoTe$_{2-x}$ kagome monolayers

Kagome lattices facilitate various quantum phases, yet in bulk materials, their kagome flat-bands often interact with bulk bands, suppressing kagome electronic characteristics for hosting these phases. Here, we use density-functional-theory calculations to predict the geometric and electronic structures, as well as the topological and magnetic properties, of a series of MoTe$_{2-x}$ kagome monolayers formed by mirror-twin-boundary (MTB) loops. We analyze ten MTB-loop configurations of varying sizes and arrangements to assess their impact on various properties. Within the intrinsic bandgap of MoTe$_{2}$, we identify two sets of kagome bands, primarily originating from in-plane and out-of-plane Mo d-orbitals at MTB-loop edges and -vertices, respectively. Three configurations exhibit superior stability, while three others show comparable stability. Among these, four display bandgaps and potentially non-zero Z$_{2}$ topological invariants, suggesting possible topological phases, while the remaining two are metallic and feature Stoner magnetization. These findings guide the design of kagome-based two-dimensional materials with tunable electronic, topological, and magnetic properties.

cond-mat.mtrl-sci↗

arXiv2024

Unraveling the multistage phase transformations in monolayer Mo-Te compounds

Monolayer MoTe2 exhibits a variety of derivative structural phases and associated novel electronic properties that enable a wealth of potential applications in future electronic and optoelectronic devices. However, a comprehensive study focusing on the complexities of the controllable phase evolution in this atomically thin film has yet to be performed. This work aims to address this issue by systematically investigating molecular beam epitaxial growth of monolayer Mo-Te compounds on bilayer graphene substrates. By utilizing scanning tunnelling microscopy, we explored a series of thermally driven structural phase evolutions including distinct T'-MoTe2, H-MoTe2, Mo6Te6 nanowires, and multistoichiometric MoTe2-x. Furthermore, we carefully investigated the critical effects of the growth parameters-annealing temperature and time and tellurium concentration-on the controllable and reversible phase transformation within monolayer MoTe2-x. The findings have significant implications for understanding the thin film synthesis and phase transformation engineering inherent to two-dimensional crystals, which can foster further development of high-performance devices.

cond-mat.mtrl-sci↗

arXiv2024

Alternating-Chiral Charge Density Waves and Hybrid Ferrimagnetism in Monolayered NbTe2

Intertwining of different quantum degrees of freedom manifests exotic quantum phenomena in many-body systems, especially in reduced dimensionality. Here we show that monolayered NbTe2 serves as an ideal platform where lattice, charge, and spin degrees of freedom manifest cooperatively, leading to a new and threading order of chirality. By using spin-polarized scanning tunneling microscopy/spectroscopy, we reveal that the root19 * root19 phase of NbTe2 is encoded with both alternating-chiral atomic displacements and charge density waves, characterized by two chiral units of opposite handedness within the reconstructed cell. We show unambiguous evidence for emergent spin polarizations spreading over the primitive cell, with the magnetization orientation synchronized with alternating handedness of chiral order. Our first-principles studies identify the origin of intertwined orders being correlation driven, with the threading order of chirality emerging when the on-site Coulomb repulsion exceeds a critical value. The spin ordering is further shown to be of hybrid ferrimagnetic nature, contributed by the itinerant electrons and localized d-orbitals. Collectively, these findings expand the realm of chiral order in correlated electron systems, and facilitate an appealing platform for chiral spintronic and related applications.

cond-mat.mtrl-sci↗

arXiv2024

Evidence of Ferroelectricity in an Antiferromagnetic Vanadium Trichloride Monolayer

A reduced dimensionality of multiferroic materials is highly desired for device miniaturization, but the coexistence of ferroelectricity and magnetism at the two-dimensional limit is yet to be conclusively demonstrated. Here, we used a NbSe2 substrate to break both the C3 rotational and inversion symmetries in monolayer VCl3 and thus introduced exceptional in-plane ferroelectricity into a two-dimensional magnet. Scanning tunneling spectroscopy directly visualized ferroelectric domains and manipulated their domain boundaries in monolayer VCl3, where coexisting antiferromagnetic order with canted magnetic moments was verified by vibrating sample magnetometer measurements. Our density functional theory calculations highlight the crucial role that highly directional interfacial Cl-Se interactions play in breaking the symmetries and thus in introducing in-plane ferroelectricity, which was further verified by examining an ML-VCl3/graphene sample. Our work demonstrates an approach to manipulate the ferroelectric states in monolayered magnets through van der Waals interfacial interactions.

cond-mat.mtrl-sci↗

arXiv2024

Quantum simulation of honeycomb lattice model by high-order moir\'e pattern

Moir\'e superlattices have become an emergent solid-state platform for simulating quantum lattice models. However, in single moir\'e device, Hamiltonians parameters like lattice constant, hopping and interaction terms can hardly be manipulated, limiting the controllability and accessibility of moire quantum simulator. Here, by combining angle-resolved photoemission spectroscopy and theoretical analysis, we demonstrate that high-order moir\'e patterns in graphene-monolayered xenon/krypton heterostructures can simulate honeycomb model in mesoscale, with in-situ tunable Hamiltonians parameters. The length scale of simulated lattice constant can be tuned by annealing processes, which in-situ adjusts intervalley interaction and hopping parameters in the simulated honeycomb lattice. The sign of the lattice constant can be switched by choosing xenon or krypton monolayer deposited on graphene, which controls sublattice degree of freedom and valley arrangment of Dirac fermions. Our work establishes a novel path for experimentally simulating the honeycomb model with tunable parameters by high-order moir\'e patterns.

cond-mat.mtrl-sci↗

arXiv2023

Ferromagnetism and correlated insulating states in monolayer Mo33Te56

Kagome lattices have an inherent two-dimensional nature. Despite previous realizations in the monolayer limit, their abilities to drive emergent electronic states such as correlated insulators have remained unobserved. Here, we report the experimental realization of a new structural phase of monolayer Mo33Te56, characterized by its virtually global uniformity as a mirror-twin boundary loop superlattice embedded in an H-MoTe2 monolayer. Through a combination of scanning tunnelling microscopy (STM) and theoretical calculations, we unveil a kagome geometry along with multiple associated sets of kagome flat bands. Crucially, the partial filling of these kagome bands induces ferromagnetism as revealed by spin-polarized STM, and leads to a correlated insulating state exhibiting a hard gap as large as 15 meV. Our findings represent a major advance in kagome materials, offering a framework with clearer band structures and more intrinsic two-dimensional properties for exploring flat-band physics.

cond-mat.mtrl-sci↗

arXiv2023

Realization of multiple charge density waves in NbTe2 at the monolayer limit

Abstract: Layered transition-metal dichalcogenides (TMDCs) down to the monolayer (ML) limit provide a fertile platform for exploring charge-density waves (CDWs). Though bulk NbTe2 is known to harbor a single axis 3*1 CDW coexisting with non-trivial quantum properties, the scenario in the ML limit is still experimentally unknown. In this study, we unveil the richness of the CDW phases in ML NbTe2, where not only the theoretically predicted 4*4 and 4*1 phases, but also two unexpected sqrt(28)*sqrt(28) and sqrt(19)*sqrt(19) phases, can be realized. For such a complex CDW system, we establish an exhaustive growth phase diagram via systematic efforts in the material synthesis and scanning tunneling microscope characterization. Moreover, we report that the energetically stable phase is the larger scale order (sqrt(19)*sqrt(19)), which is surprisingly in contradiction to the prior prediction (4*4). These findings are confirmed using two different kinetic pathways, i.e., direct growth at proper growth temperatures (T), and low-T growth followed by high-T annealing. Our results provide a comprehensive diagram of the "zoo" of CDW orders in ML 1T-NbTe2 for the first time and offer a new material platform for studying novel quantum phases in the 2D limit.

cond-mat.mtrl-sci↗

arXiv2022

Controllable dimensionality conversion between 1D and 2D CrCl3 magnetic nanostructures

The fabrication of one-dimensional (1D) magnetic systems on solid surfaces, although of high fundamental interest, has yet to be achieved for a crossover between two-dimensional (2D) magnetic layers and their associated 1D spin chain systems. In this study, we report the fabrication of 1D single-unit-cell-width CrCl3 atomic wires and their stacked few-wire arrays on the surface of a van der Waals (vdW) superconductor NbSe2. Scanning tunneling microscopy/spectroscopy and first-principles calculations jointly revealed that the single wire shows an antiferromagnetic large-bandgap semiconducting state in an unexplored structure different from the well-known 2D CrCl3 phase. Competition among the total energies and nanostructure-substrate interfacial interactions of these two phases result in the appearance of the 1D phase. This phase was transformable to the 2D phase either prior to or after the growth for in situ or ex situ manipulations, in which the electronic interactions at the vdW interface play a nontrivial role that could regulate the dimensionality conversion and structural transformation between the 1D-2D CrCl3 phases.

cond-mat.mtrl-sci↗

arXiv2022

Tailoring Dirac fermions by in-situ tunable high-order moire pattern in graphene-monolayer xenon heterostructure

A variety of novel quantum phases have been achieved in twist bilayer graphene (tBLG) and other moire superlattices recently, including correlated insulators, superconductivity, magnetism, and topological states. These phenomena are very sensitive to the moire superlattices, which can hardly be changed rapidly or intensely. Here, we report the experimental realization of a high-order moire pattern (a high-order interference pattern) in graphene-monolayer xenon heterostructure (G/mXe), with moire period in-situ tuned from few nanometers to infinity by changing the lattice constant of Xe through different annealing temperatures and pressures. We use angle-resolved photoemission spectroscopy to directly observe that replicas of graphene Dirac cone emerge and move close to each other in momentum-space as moire pattern continuously expands in real-space. When the moire period approaches infinity, the replicas finally overlap with each other and an energy gap is observed at the Dirac point induced by intervalley coupling, which is a manifestation of Kekule distortion. We construct a continuum moire Hamiltonian, which can explain the experimental results well. The form of moire Hamiltonian in G/mXe is similar to that in tBLG, and moire band with narrow bandwidth is predicted in G/mXe. However, the moire Hamiltonian couples Dirac fermions from different valleys in G/mXe, instead of ones from different layers in tBLG. Our work demonstrates a novel platform to study the continuous evolution of moire pattern and its modulation effect on electronic structure, and provides an unprecedented approach for tailoring Dirac fermions with tunable intervalley coupling.

cond-mat.mes-hall↗

arXiv2021

PTCDA molecular monolayer on Pb thin films: An unusual π-electron Kondo system and its interplay with a quantum-confined superconductor

The hybridization of magnetism and superconductivity has been an intriguing playground for correlated electron systems, hosting various novel physical phenomena. Usually, localized d- or f-electrons are central to magnetism. In this study, by placing a PTCDA (3,4,9,10-perylene tetracarboxylic dianhydride) molecular monolayer on ultra-thin Pb films, we built a hybrid magnetism/superconductivity (M/SC) system consisting of only sp electronic levels. The magnetic moments reside in the unpaired molecular orbital originating from interfacial charge-transfers. We reported distinctive tunneling spectroscopic features of such a Kondo screened pi-electron impurity lattice on a superconductor in the regime of TK>>delta suggesting the formation of a two-dimensional bound states band. Moreover, moiré superlattices with tunable twist angle and the quantum confinement in the ultra-thin Pb films provide easy and flexible implementations to tune the interplay between the Kondo physics and the superconductivity, which are rarely present in M/SC hybrid systems.

cond-mat.supr-con↗

arXiv2021

Monolayer 1T-NbSe2 as a 2D correlated magnetic insulator

Monolayer group-V transition metal dichalcogenides in their 1T phase have recently emerged as a platform to investigate rich phases of matter, such as spin liquid and ferromagnetism, resulting from strong electron correlations. Although 1T phase NbSe2 does not occur naturally in bulk form, it has been discovered that the 1T and 1H phases can coexist when monolayer NbSe2 is grown via molecular beam epitaxy (MBE). This discovery has inspired theoretical investigations predicting collective phenomena such as ferromagnetism in two dimensions. Here, by controlling the MBE growth parameters, we demonstrate the successful growth of single-phase 1T-NbSe2. By combining scanning tunneling microscopy/spectroscopy and ab initio calculations, we show that this system is a charge-transfer insulator, with the upper Hubbard band located above the valence band maximum. Furthermore, by creating a vertical 1T/2H NbSe2 heterostructure, we find evidence of exchange interactions between the localized magnetic moments in 1T phase and the metallic/superconducting phase, as manifested by Kondo resonances and Yu-Shiba-Rusinov bound states.

cond-mat.str-el↗

arXiv2016

Band gap renormalization and work function tuning in MoSe2/hBN/Ru(0001) heterostructures

Here we report the successful growth of MoSe2 on single layer hexagonal boron nitride (hBN) on Ru(0001) substrate by using molecular beam epitaxy. We investigated the electronic structures of MoSe2 using scanning tunneling microscopy and spectroscopy. Surprisingly, we found that the quasi-particle gap of the MoSe2 on hBN/Ru is about 0.25 eV smaller than those on graphene or graphite substrates. We attribute this result to the strong interaction between hBN/Ru which causes residual metallic screening from the substrate. The surface of MoSe2 exhibits Moiré pattern that replicates the Moiré pattern of hBN/Ru. In addition, the electronic structure and the work function of MoSe2 are modulated electrostatically with an amplitude of ~ 0.13 eV. Most interestingly, this electrostatic modulation is spatially in phase with the Moiré pattern of hBN on Ru(0001) whose surface also exhibits a work function modulation of the same amplitude.

cond-mat.mtrl-sci↗

arXiv2016

Distinct Reconstruction Patterns and Spin-Resolved Electronic States along the Zigzag Edges of Transition Metal Dichalcogenides

Two-dimensional transition metal dichalcogenides represent an emerging class of materials exhibiting various intriguing properties, and integration of such materials for potential device applications will necessarily encounter creation of different boundaries. Using first-principles approaches, here we investigate the structural, electronic, and magnetic properties along two inequivalent zigzag M and X edges of MX$_{2}$ (M=Mo, W; X=S, Se). Along the M edges, we reveal a previously unrecognized but energetically strongly preferred (2x1) reconstruction pattern, which is universally operative for all the MX$_{2}$, characterized by a self-passivation mechanism through place exchanges of the outmost X and M edge atoms. In contrast, the X edges undergo a more moderate (2x1) or (3x1) reconstruction for MoX$_{2}$ or WX$_{2}$, respectively. We further use the prototypical zigzag MoX$_{2}$ nanoribbons to demonstrate that the M and X edges possess distinctly different electronic and magnetic properties, which are discussed for spintronic and catalytic applications.

cond-mat.mtrl-sci↗

arXiv2015

Visualizing Band Offsets and Edge States in Bilayer-Monolayer Transition Metal Dichalcogenides Lateral Heterojunction

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 heterojunctions are found to have a zigzag-orientated interface, and the band alignment of such atomically sharp heterojunctions is of type-I with a well-defined interface mode which acts as a narrower-gap quantum wire. The ability to utilize such commonly existing thickness terrace as lateral heterojunctions is a crucial addition to the tool set for device applications based on atomically thin transition metal dichalcogenides, with the advantage of easy and flexible implementation.

cond-mat.mtrl-sci↗

arXiv2015

Probing critical point energies of transition metal dichalcogenides: surprising indirect gap of single layer $SL-WSe_2$

Understanding quasiparticle band structures of transition metal dichalcogenides (TMDs) is critical for technological advances of these materials for atomic layer electronics and photonics. Although theoretical calculations to date have shown qualitatively similar features, there exist subtle differences which can lead to important consequences in the device characteristics. For example, most calculations have shown that all single layer (SL) TMDs have direct band gaps, while some have shown that $SL-WSe_2$ have an indirect gap. Moreover, there are large variations in the reported quasiparticle gaps, corresponding to large variations in exciton binding energies. By using a comprehensive form of scanning tunneling spectroscopy, we have revealed detailed quasiparticle electronic structures in TMDs, including the quasi-particle gaps, critical point energy locations and their origins in the Brillouin Zones (BZs). We show that $SL-WSe_2$ actually has an indirect quasi-particle gap with the conduction band minimum located at the Q point (instead of K), albeit the two states are nearly degenerate. Its implications on optical properties are discussed. We have further observed rich quasi-particle electronic structures of TMDs as a function of atomic structures and spin-orbital couplings.

cond-mat.mes-hall↗

arXiv2015

Determination of band alignment in the single layer MoS2/WSe2 heterojunction

The emergence of transition metal dichalcogenides (TMDs) as 2D electronic materials has stimulated proposals of novel electronic and photonic devices based on TMD heterostructures. Here we report the determination of band offsets in TMD heterostructures by using microbeam X-ray photoelectron spectroscopy (μ-XPS) and scanning tunneling microscopy/spectroscopy (STM/S). We determine a type-II alignment between $\textrm{MoS}_2$ and $\textrm{WSe}_2$ with a valence band offset (VBO) value of 0.83 eV and a conduction band offset (CBO) of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of $\textrm{WSe}_2$ and $\textrm{MoS}_2$ are well retained in their respective layers due to a weak interlayer coupling. Moreover, a VBO of 0.94 eV is obtained from density functional theory (DFT), consistent with the experimental determination.

cond-mat.mtrl-sci↗

arXiv2014

Direct imaging of the band profile in single layer ${\small MoS_2}$ on graphite: quasiparticle energy gap, metallic edge states and edge band bending

Using Scanning Tunneling Microscopy and Spectroscopy, we probe the electronic structures of single layer ${\small MoS_2}$ on graphite. We show that the quasiparticle energy gap of single layer ${\small MoS_2}$ is 2.15 $\pm$ 0.07 eV at 77 K. Combining with temperature dependent photoluminescence studies, we deduce an exciton binding energy of 0.22 $\pm$ 0.1 eV, a value that is much lower than current theoretical predictions. Consistent with theoretical predictions we directly observed metallic edge states of single layer ${\small MoS_2}$. In the bulk region of ${\small MoS_2}$, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/${\small MoS_2}$ heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

cond-mat.mtrl-sci↗

arXiv2009

Pressure-induced Superconductivity in Crystalline Boron Nanowires

We report high-pressure induced superconductivity in boron nanowires (BNWs) with rhombohedral crystal structure. Obviously different from bulk rhombohedral boron, these BNWs show a semiconductor-metal transition at much lower pressure than bulk boron. Also, we found these BNWs become superconductors with Tc=1.5 K at 84 GPa, at the pressure of which bulk boron is still a semiconductor, via in-situ resistance measurements in a diamond anvil cell. With increasing pressure, Tc of the BNWs increases. The occurrence of superconductivity in the BNWs at a pressure as low as 84 GPa probably arises from the size effect.

cond-mat.supr-con↗