We investigated the electronic structure of monolayer VTe2 grown on bilayer graphene by angle-resolved photoemission spectroscopy (ARPES). We found that monolayer VTe2 takes the octahedral 1T structure in contrast to the monoclinic one in the bulk, as evidenced by the good agreement in the Fermi-surface topology between ARPES results and first-principles band calculations for octahedral monolayer 1T-VTe2. We have revealed that monolayer 1T-VTe2 at low temperature is characterized by a metallic state whereas the nesting condition is better than that of isostructural monolayer VSe2 which undergoes a CDW transition to insulator at low temperature. The present result suggests an importance of Fermi-surface topology for characterizing the CDW properties of monolayer TMDs.
Multiple charge density wave (CDW) phases in 2H-TaSe2 are investigated by high-resolution synchrotron x-ray diffraction. In a narrow temperature range immediately above the commensurate CDW transition, we observe a multi-q superstructure with coexisting commensurate and incommensurate order parameters, clearly distinct from the fully incommensurate state at higher temperatures. This multi-q ordered phase, characterized by a temperature hysteresis, is found both during warming and cooling, in contrast to previous reports. In the normal state, the incommensurate superstructure reflection gives w…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on $γ$-graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming the $^4$He-substrate interaction described by a pairwise sum of empirical $^4$He-carbon interatomic potentials, we find that unlike $α$-graphyne, a single sheet of $γ$-graphyne is not permeable to $^4$He atoms in spite of its large surface area. One-dimensional density distributions computed as a function of the distance from the graphyne surface reveal a layer-by-layer growth of $^4$He atoms. A partially-filled $^4$…
We discuss here the effect of band nesting and topology on the spectrum of excitons in a single layer of MoS$_2$, a prototype transition metal dichalcogenide material. We solve for the single particle states using the ab initio based tight-binding model containing metal $d$ and sulfur $p$ orbitals. The metal orbitals contribution evolving from $K$ to $Γ$ points results in conduction-valence band nesting and a set of second minima at $Q$ points in the conduction band. There are three $Q$ minima for each $K$ valley. We accurately solve the Bethe-Salpeter equation including both $K$ and $Q$ point…
We report experimental evidence of charge density wave (CDW) transition in monolayer 1T-VTe$_2$ film. 4$\times$4 reconstruction peaks are observed by low energy electron diffraction below the transition temperature $T_{CDW}$ = 186 K. Angle-resolved photoemission spectroscopy measurements reveal arc-like pockets with anisotropic CDW gaps up to 50 meV. The anisotropic CDW gap is attributed to the imperfect nesting of the CDW wave vector, and first-principles calculations reveal phonon softening at the same vector, suggesting the important roles of Fermi surface nesting and electron-phonon intera…
The concept of a CDW induced by Fermi-surface nesting originated from the Peierls idea of electronic instabilities in purely 1D metals and is now often applied to charge ordering in real low-dimensional materials. The idea is that if Fermi surface contours coincide when shifted along the observed CDW wave vector, then the CDW is considered to be nesting-derived. We show that in most cases this procedure has no predictive power, since Fermi surfaces either do not nest at the right wave vector, or nest more strongly at the wrong vector. We argue that only a tiny fraction, if any, of the observed…
Emergent phenomena driven by electronic reconstructions in oxide heterostructures have been intensively discussed. However, the role of these phenomena in shaping the electronic properties in van der Waals heterointerfaces has hitherto not been established. By reducing the material thickness and forming a heterointerface, we find two types of charge-ordering transitions in monolayer VSe2 on graphene substrates. Angle-resolved photoemission spectroscopy (ARPES) uncovers that Fermi-surface nesting becomes perfect in ML VSe2. Renormalization group analysis confirms that imperfect nesting in three…
We present a new approach to study the magnetic phase stability of magnetic overlayers on nonmagnetic substrates. The exchange integrals among magnetic atoms in the overlayer are estimated in the framework of the adiabatic approximation and used to construct the effective classical two-dimensional Heisenberg Hamiltonian. Its stability is then studied with respect to a large number of collinear and non-collinear magnetic arrangements which include, as special cases, not only ferromagnetic and various antiferromagnetic configurations, but also possible incommensurate spin-spiral structures. This…
The surface phonon dispersion curves of commensurate Xe monolayers on Cu(111) and incommensurate Xe monolayers on Cu(001) surfaces have been measured using He atom scattering (HAS) time of flight (TOF) spectroscopy. The TOF spectra are interpreted by combining quantum scattering calculations with the dynamical matrix description of the surface vibrations. Both a vertically polarized Einstein-like mode and another, acoustic-like mode of dominantly longitudinal character, are identified. The latter mode is characterized by the presence and absence of the zone center frequency gap in the commensu…
Recently the charge density wave (CDW) in vanadium dichalcogenides have attracted increasing research interests, but a real-space investigation on the symmetry breaking of the CDW state in VTe2 monolayer is still lacking. We have investigated the CDW of VTe2 monolayer by low energy electron diffraction (LEED) and scanning tunneling microscope (STM). While the LEED experiments revealed a (4X4) CDW transition at 192+-2 K, our low-temperature STM experiments resolved the (4X4) lattice distortions and charge-density modulation in real space, and further unveiled a 1D modulation that breaks the thr…
In itinerant magnetic systems, a spin density wave (SDW) state can be induced by Fermi surface nesting and electron-electron interaction. It may intertwine with other orders such as charge density wave (CDW), while their relation is still yet to be understood. Here via spin-polarized scanning tunneling microscopy, we directly observed long-range spin modulation on Cr(001) surface, which corresponds to the well-known incommensurate SDW of bulk Cr. It displays 6.0 nm in-plane period and anti-phase behavior between adjacent (001) planes. Meanwhile, we simultaneously observed the coexisting CDW wi…
Interplay between fermiology and electron correlation is crucial for realizing exotic quantum phases. Transition-metal dichalcogenide (TMD) 1T-TaS2 has sparked a tremendous attention owing to its unique Mott-insulating phase coexisting with the charge-density wave (CDW). However, how the fermiology and electron correlation are associated with such properties has yet to be claried. Here we demonstrate that monolayer 1T-NbTe2 is a new class of two-dimensional TMD which has the star-of-David lattice similarly to bulk TaS2 and isostructural monolayer NbSe2, but exhibits a metallic ground state wit…
Two-dimensional (2D) materials are known to possess emergent properties that are not found in their bulk counterparts. Recent experiments have shown a $\sqrt7 \times \sqrt3$ charge density wave (CDW) in monolayer 1T-VSe$_2$, in contrast to the $4\times 4\times 3$ phase in bulk. Here, via first-principles calculations, we show that multiple CDW phases compete in monolayer VSe$_2$, the ground state of which can be tuned by charge doping and in-plane biaxial strain. With doping, the $\sqrt7 \times \sqrt3$ CDW of the pristine VSe$_2$ transfers to a $3 \times \sqrt3$ and $4\times 4$ phase, the latt…
An investigation of the structural, magnetic, thermodynamic, and charge transport properties of non-centrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic state below $T_N = 36$ K. Neutron diffraction measurements discovered a temperature and field independent helical wavevector \textbf{\textit{k}} = (0 0 0.193) with magnetic moments of 0.53 $μ_{B}$ per formula unit confined to the {\it ab}-plane. Density functional theory calculations are consistent with these measurements and find several bands that cross the F…
Materials with reduced dimensionality often exhibit exceptional properties that are different from their bulk counterparts. Here we report the emergence of a commensurate 2 $\times$ 2 charge density wave (CDW) in monolayer and bilayer SnSe$_2$ films by scanning tunneling microscope. The visualized spatial modulation of CDW phase becomes prominent near the Fermi level, which is pinned inside the semiconductor band gap of SnSe$_2$. We show that both CDW and Fermi level pinning are intimately correlated with band bending and virtual induced gap states at the semiconductor heterointerface. Through…
Incommensurate (IC) charge-order (CO) and spin density wave (SDW) order in electron doped SrMn1-xWxO3-δ (x= 0.08 to 0.1875) have been studied using neutron diffraction.The study highlights the drastic effect of electron doping on the emergence of magnetic ground states which were not revealed in manganites before. With increasing (x) the crystal structure changes from simple tetragonal (P4/mmm) to an IC-CO modulated structure with super space-group P2/m(α\b{eta}0)00 having ab-planer ferro order of 3dx2-y2 orbitals in a compressed tetragonal (c<a) lattice. The IC-CO order is found to be intimat…
Anharmonic Lattice Dynamics and Anisotropic Electron-Phonon Coupling in Quasi-1-Dimensional Charge Density Wave Ta2NiSe7
Indian Institute of Technology Mandi（印度技术学院曼迪分校）；SRM Institute of Science and Technology（SRM科学与技术学院）；Jawaharlal Nehru Centre for Advanced Scientific Research（贾瓦哈拉尔·尼赫鲁高级科学研究中心）
Bulk 1T-TaSe2 exhibits unusually high charge density wave (CDW) transition temperatures of 600 K and 473 K below which the material exists in the incommensurate (I-CDW) and the commensurate (C-CDW) charge-density-wave phases, respectively. The C-CDW reconstruction of the lattice coincides with new Raman peaks resulting from zone-folding of phonon modes from middle regions of the original Brillouin zone back to the Gamma point. The C-CDW transition temperatures as a function of film thickness are determined from the evolution of these new Raman peaks and they are found to decrease from 473K to …
We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene sheets. Contrary to previous works, the systems are constructed in such a way that the unstrained lattice constants of the constituent incommensurate monolayers are retained. We find strong interaction between the Γ-point states in all TMD/TMD heterostructures, which can lead to an indirect gap. On the other hand, states near the K-point remain as in the monol…
Transition metal dichalcogenides (TMDs), whether in bulk or in monolayer form, exhibit a rich variety of charge-density-wave (CDW) phases and stronger periodic lattice distortions. While the actual role of nesting has been under debate, it is well understood that the microscopic interaction responsible for the CDWs is the electron-phonon coupling. The case of TiSe$_2$ is however unique in this family in that the normal state above the critical temperature $T_\mathrm{CDW}$ is characterized by a small quasiparticle bandgap as measured by ARPES, so that no nesting-derived enhancement of the susce…
We demonstrated experimentally a direct way to probe a hidden propensity to the formation of spin density wave (SDW) in a non-magnetic metal with strong Fermi surface nesting. Substituting Fe for a tiny amount of Cu (1%) induced an incommensurate magnetic order below 20 K in heavily-overdoped La2-xSrxCuO4 (LSCO). Elastic neutron scattering suggested that this order cannot be ascribed to the localized spins on Cu or doped Fe. Angle-resolved photoemission spectroscopy (ARPES), combined with numerical calculations, revealed a strong Fermi surface nesting inherent in the pristine LSCO that likely …
We report a novel quasi-two dimensional compound of EuTe4 hosting charge density waves (CDW) instability. The compound has a crystallographic structure in a orthorhombic space group Pmmn (No.59) with cell parameters a = 4.6347(2)Å, b = 4.5119(2)Å, c = 15.6747(10)Å at room temperature. The pristine structure contains consecutive near-square Te sheets separated by corrugated Eu-Te slabs. Upon cooling, the compound experiences a phase transition near 255 K. X-ray crystallographic analysis and transmission electron microscopy (TEM) measurements reveal strong structural distortions in the low tempe…
Graphene/MoS2 heterostructures are formed by combining the nanosheets of graphene and monolayer MoS2. The electronic features of both constituent monolayers are rather well-preserved in the resultant heterostructure due to the weak van der Waals interaction between the layers. However, the proximity of MoS2 induces strong spin orbit coupling effect of strength ~1 meV in graphene, which is nearly three orders of magnitude larger than the intrinsic spin orbit coupling of pristine graphene. This opens a bandgap in graphene and further causes anticrossings of the spin-nondegenerate bands near the …
Strongly Enhanced Charge-Density Waves and Correlated Insulating State in Atomically Thin 1$T$-TaS$_2$
Nanjing University（南京大学）；Institute of High Energy Physics, Chinese Academy of Sciences（中国科学院高能物理研究所）；Spallation Neutron Source Science Center（散裂中子源科学中心）；National Institute for Materials Science（国立材料研究所）；Center for Shared Scientific Research Facilities, Nanjing University（南京大学共享科研设施中心）
The existence of a charge density wave (CDW) in transition metal dichalcogenide CuS$_2$ has remained undetermined since its first experimental synthesis nearly 50 years ago. Despite conflicting experimental literature regarding its low temperature structure, there exists no theoretical study of the phonon properties and lattice stability of this material. By studying the first-principles electronic structure and phonon properties of CuS$_2$ at various electronic temperatures, we identify temperature-sensitive soft phonon modes which unveil a previously unreported Kohn anomaly at approximately …
