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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Full-film dry transfer of MBE-grown van der Waals materials

Abstract Molecular beam epitaxy (MBE) has been used to create high-quality, large-scale two-dimensional van der Waals (2D vdW) materials. However, due to the strong adhesion between the substrate and deposited materials, the peel-off and dry transfer of MBE-grown vdW films onto other substrates has been challenging. This limits the study and use of MBE films for heterogeneous integration including stacked and twisted heterostructures. In this work, we develop a polymer-assisted dry transfer method and successfully perform full-film transfer of various MBE-grown 2D vdW materials including transition metal dichalcogenides, topological insulators and 2D magnets. In particular, we transfer air-sensitive 2D magnets, characterize their magnetic properties, and compare them with as-grown materials. The results show that the transfer technique does not degrade the magnetic properties, with the Curie temperature and hysteresis loops exhibiting similar behaviors after the transfer. Our results enable further development of heterogeneous integration of 2D vdW materials based on MBE growth.

Li, Ziling (ORCID:0000000203537036)↗
DOE OSTI2021

Van der Waals superlattices

This perspective explores the development of van der Waals superlattices, which are manipulated and constructed at atomic thick level, and points out potential applications and possible future directions of this new class of materials.

Ren, Huaying↗
DOE OSTI2025

Observation of multiple flat bands and Van Hove singularities in the distorted kagome metal NdTi 3 Bi 4

Kagome materials have attracted enormous research interest recently owing to their diverse topological phases and manifestation of electronic correlation. Here, in this study, we present the electronic structure of a distorted ferromagnetic kagome metal, NdTi 3 ⁢Bi 4 , exhibiting a transition temperature of 9 K. Our investigation employs a combination of angle-resolved photoemission spectroscopy (ARPES) measurements and density functional theory (DFT) calculations. We discover the presence of two “flat” bands which are found to originate from the kagome structure formed by Ti atoms with a major contribution from Ti 𝑑 𝑥⁢𝑦 and Ti 𝑑 𝑥 2 −𝑦 2 orbitals. We also observed multiple Van Hove singularities (VHSs) in its electronic structure, with one VHS lying near the Fermi level. The ARPES data reveal the existence of Dirac cone at the $\overline{𝐾}$ point, a finding which is corroborated by our DFT calculations. These findings present a detailed electronic structure capable of hosting correlation-driven phenomenon in this novel ferromagnetic kagome metal.

Fermi surface↗
DOE OSTI2019

Intrinsic interfacial van der Waals monolayers and their effect on the high-temperature superconductor FeSe / SrTiO 3

The sensitive dependence of monolayer materials on their environment often gives rise to unexpected properties. It was recently demonstrated that monolayer FeSe on a SrTiO 3 substrate exhibits a much higher superconducting critical temperature TC than the bulk material. Here, we examine the interfacial structure of FeSe / SrTiO 3 and the effect of an interfacial Ti 1+x O 2 layer on the increased T C using a combination of scanning transmission electron microscopy and density functional theory. We find Ti 1+x O 2 forms its own quasi-two-dimensional layer, bonding to both the substrate and the FeSe film by van der Waals interactions. The excess Ti in this layer electron-dopes the FeSe monolayer in agreement with experimental observations. Moreover, the interfacial layer introduces symmetry-breaking distortions in the FeSe film that favor a T C increase. These results suggest that this common substrate may be functionalized to modify the electronic structure of a variety of thin films and monolayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Control of magnetic properties of MnBi 2 Te 4 using a van der Waals ferroelectric III 2 -VI 3 film and biaxial strain

Using the first-principles calculations, we systematically investigated magnetic properties of a MnBi 2 Te 4 (MBT) monolayer in contact with III 2 -VI 3 two-dimensional ferroelectric substrates. As the electric polarization in the ferroelectric films is switched, a semiconductor to half-metal transition occurs in MBT, and its magnetic easy axis in several cases reorients. As an example, the Curie temperature of MBT/In 2 Se 3 can be enhanced to 21.5 or 32 K under the influence of electric polarization and biaxial strain, much higher than that of the pristine MBT monolayer, which is 14.5 K in our calculations. Our results in this work suggest effective ways to tune magnetic properties of MBT and provide useful insights for the further development of these important van der Waals functional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Superconducting proximity effect in a transparent van der Waals superconductor-metal junction

Here, we report on Andreev reflections at clean NbSe 2 -bilayer graphene junctions. The high transparency of the junction, which manifests as a large conductance enhancement of up to 1.8, enables us to see clear evidence of a proximity-induced superconducting gap in bilayer graphene and two Andreev reflections through a vertical NbSe 2 -graphene and a lateral graphene-graphene junction, respectively. Quantum transport simulations capture the complexity of the experimental data and illuminate the impact of various microscopic parameters on the transmission of the junction. Our work establishes the practice and understanding of an all-van-der-Waals, high-performance superconducting junction. The realization of a highly transparent proximized graphene-graphene junction opens up possibilities to engineer emergent quantum phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Role of nonlocality in exchange correlation for magnetic two-dimensional van der Waals materials

To obtain accurate independent-particle descriptions for ferromagnetic two-dimensional van der Waals materials, we apply the quasiparticle self-consistent G W (QSGW) method to VI 3 , CrI 3 , CrGeTe 3 , and Fe 3 GeTe 2 . QSGW provides a description of the nonlocal exchange-correlation term in the one-particle Hamiltonian. The nonlocal term is important not only as the U of density functional theory ( DFT ) + U but also for differentiating occupied and unoccupied states in semiconductors. Finally, we show the limitations of DFT + U in mimicking QSGW.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mott localization in the van der Waals crystal CrI 3 : A GGA+DMFT study

Using the generalized gradient approximation plus dynamical mean-field theory (GGA+DMFT) we confirm the importance of multi-orbital dynamical correlations in determining the paramagnetic insulating state of CrI 3 . Furthermore, while the ferromagnetic phase reveals weak electronic correlation effects due to strong spin-orbital polarization, the Mott insulating state of paramagnetic CrI 3 crystal is shown to be driven by the interplay between orbital-dependent one-electron lineshape and multi-orbital electronic interactions. To probe the paramagnetic Mott insulating state we performed x-ray absorption spectroscopy (XAS) measurements for the two structural phases of CrI 3 . Our study is relevant to understanding the orbital-selective electronic structure reconstruction of Mott insulators and should be applicable to other van der Waals bonded materials from bulk to the ultrathin limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic exchange interactions in the van der Waals layered antiferromagnet MnPSe 3

Two-dimensional van der Waals compounds with magnetic ions on a honeycomb lattice are hosts to a variety of exotic behavior. The magnetic interactions in one such compound, MnPSe 3 , are investigated with elastic and inelastic neutron scattering. Magnetic excitations are observed in the magnetically ordered regime and persist to temperatures well above the ordering temperature, T N =74K, consistent with low dimensional magnetic interactions. The inelastic neutron scattering results allow a model spin Hamiltonian to be presented that includes dominant intralayer interactions of J 1ab =0.45 meV, J 2ab =0.03 meV, J 3ab =0.19 meV, consistent with theoretical predictions. Furthermore, despite the quasi-2D behavior, appreciable interlayer interactions of J c =0.031(5) meV are required to model the data. No evidence for anisotropy in the form of a spin gap is observed in the data collected. The measurements on MnPSe 3 are contrasted with those on MnPS 3 and reveal a large increase in the interlayer exchange interaction in MnPSe 3 that may stabilize the similar ordering temperatures in the bulk compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic order in the van der Waals antiferromagnet CrPS 4 : Anisotropic H – T phase diagrams and effects of pressure

Here, single crystalline samples of the van der Waals antiferromagnet CrPS 4 were studied by measurements of specific heat and comprehensive anisotropic temperature- and magnetic-field-dependent magnetization. In addition, measurements of the heat capacity and magnetization were performed under pressures of up to ~ 21 and ~ 14 kbar, respectively. At ambient pressure, two magnetic transitions are observed: second order from a paramagnetic to an antiferromagnetic state at T N ~ 37 K, and a first-order spin reorientation transition at T * ~ 34 K. Anisotropic H – T phase diagrams were constructed using the M ( T , H ) data. As pressure is increased, T N is weakly suppressed with d T N / d P ≈ – 0.1 K/kbar. T * , on the other hand, is suppressed quite rapidly, with d T * / d P ≈ – 2 K/kbar, extrapolating to a possible quantum phase transition at P c ~ 15 kbar.

2-dimensional systems↗
DOE OSTI2021

Built-in electric field control of magnetic coupling in van der Waals semiconductors

Electrical control of magnetism in a two-dimensional (2D) semiconductor is of great interest for emerging nanoscale low-dissipation spintronic devices. Here, we propose a general approach of tuning magnetic coupling and anisotropy of a van der Waals (vdW) 2D magnetic semiconductor via a built-in electric field generated by the adsorption of superatomic ions. Using first-principles calculations, we predict a significant enhancement of ferromagnetic coupling and a great change of magnetic anisotropy in 2D semiconductors when they are sandwiched between superatomic cations and anions. The magnetic coupling is directly affected by the built-in electric field, which lifts the energy levels of mediated ligands' orbitals and enhances the superexchange interactions. Finally, these findings will be of interest for ionic gating controlled ferromagnets and magnetoelectronics based on vdW 2D semiconductors.

2-dimensional systems↗
DOE OSTI2021

Voltage-controlled long-range propagation of indirect excitons in a van der Waals heterostructure

Indirect excitons (IXs), also known as interlayer excitons, can form the medium for excitonic devices whose operation is based on controlled propagation of excitons. Here, a proof of principle for excitonic devices was demonstrated in GaAs heterostructures where the operation of excitonic devices is limited to low temperatures. IXs in van der Waals transition-metal dichalcogenide (TMD) heterostructures are characterized by high binding energies making IXs robust at room temperature and offering an opportunity to create excitonic devices operating at high temperatures suitable for applications. However, a characteristic feature of TMD heterostructures is the presence of moiré superlattice potentials, which are predicted to cause modulations of IX energy reaching tens of meV. These in-plane energy landscapes can lead to IX localization, making IX propagation fundamentally different in TMD and GaAs heterostructures and making uncertain whether long-range IX propagation, sufficiently long to allow for creating elaborate excitonic devices and circuits, can be realized in TMD heterostructures. In this work, we realize long-range IX propagation with the 1/e IX luminescence decay distances reaching 13 microns in a MoSe 2 /WSe 2 heterostructure. We trace the IX luminescence along the IX propagation path. In the presented TMD materials, the long-range IX propagation occurs up to ~50 K. This is a step toward the room temperature operation, which can be realized in TMD heterostructures due to the high IX binding energy. We also realize control of the long-range IX propagation by voltage. The IX luminescence signal in the drain of an excitonic transistor is controlled within 40 times by gate voltage. The control of the IX propagation in the MoSe 2 /WSe 2 heterostructure is governed by new mechanisms, beyond the mechanism for controlling IX transport by an energy barrier to IX propagation (or a trap for IXs) created by the gate electrode, known since the studies of GaAs heterostructures. We discuss the origin of the voltage-controlled long-range IX propagation in the MoSe 2 /WSe 2 heterostructure, in particular, the electric-field control of the moiré potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Van der Waals heterostructure Pt 2 HgSe 3 / CrI 3 for topological valleytronics

We identify a valley-polarized Chern insulator in a van der Waals heterostructure, monolayer Pt 2 HgSe 3 /monolayer CrI 3 , for potential applications with interplay between electric, magnetic, optical, and mechanical effects. The interlayer proximity magnetic coupling nearly closes the band gap of monolayer Pt 2 HgSe 3 , and the strong intralayer spin-orbit coupling further lifts the valley degeneracy by over 100 meV, leading to positive and negative band gaps at opposite valleys. In the valley with negative gap, the interfacial Rashba spin-orbit coupling opens a topological band gap of 17.8 meV, which is enlarged to 30.8 meV by adding a hexagonal boron nitride (h-BN) layer. We find large orbital magnetization in the Pt 2 HgSe 3 layer that is much larger than spin, which can induce a measurable optical Kerr effect. Additionally, the valley polarization and Chern number are coupled to the magnetic order of the nearest-neighbor CrI3 layer, which is switchable by electric, magnetic, and mechanical means in experiments. The presence of h-BN protects the topological phase, allowing the construction of superlattices with valley, spin, and layer degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nontrivial Fermi surface topology of the kagome superconductor CsV 3 Sb 5 probed by de Haas–van Alphen oscillations

Here, we have investigated the normal state Fermi-surface properties of the kagome superconductor CsV 3 Sb 5 using torque magnetometry with applied fields (H) up to 35 T. The torque signal shows clear de Haas-van Alphen (dHvA) oscillations above 15 T. The oscillations are smooth and consist of seven distinct frequencies with values from similar to ~18 T to 2135 T. The presence of higher frequencies in CsV 3 Sb 5 is further confirmed by carrying out additional measurements using the tunnel diode oscillator technique. All frequencies measured at different tilt angles (θ) of the field direction with respect to the c axis show a 1/cosθ dependence, implying that the Fermi surfaces corresponding to these frequencies are two dimensional (2D). The absence of dHvA oscillations at θ = 90° further supports the presence of 2D Fermi surfaces. The Berry phase (φ) determined from the Landau level fan diagram for all frequencies is similar to ~ 0.4. This value is close to the theoretical value of φ = 0.5 for a nontrivial system, which strongly supports the nontrivial topology of the Fermi surfaces of these frequencies. Several quantities characterizing the Fermi surface are calculated employing the Lifshitz-Kosevich theory. These findings are crucial for exploring the interplay between nontrivial band topology, charge-density wave, and unconventional superconductivity of CsV 3 Sb 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Tunable artificial topological Hall effects in van der Waals heterointerfaces

The topological Hall effect (THE) originating from a real-space Berry phase is a significant transport signal for chiral spin textures and has been extensively investigated recently due to its potential applications in topological spintronics. Recently, chiral spin textures and THE were realized in heterointerfaces where spatial inversion symmetry is naturally broken. However, multichannel transport in heterointerfaces can mask the intrinsic THE associated with chiral spin textures. We systematically investigate multichannel transport in two different kinds of van der Waals (vdW) heterointerfaces. In ferromagnetic-ferromagnetic (FM-FM) heterointerfaces with two opposite anomalous Hall effects, multichannel transport has mimicked both positive and negative THE without involving any topological charges, which is dubbed as an artificial THE. Moreover, artificial THEs were also observed in FM-metal heterointerfaces consisting of a single FM layer stacked onto a nodal-line semimetal; this was attributed to the presence of multichannel transport as well. Our findings provide an alternative explanation for THE-like features in heterointerfaces. They also reveal exotic multichannel transport properties in vdW heterointerfaces which could facilitate the development of multifunctional nanodevices based on vdW heterointerfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electronic and topological properties of the van der Waals layered superconductor PtTe

We report the crystal growth and structural and electronic properties of superconducting, van der Waals layered PtTe. Easily cleavable crystals with a platelike morphology consistent with the layered structure were grown from a platinum-rich flux. A consistent determination of T c = 0.57 K is made from the onset of diamagnetism, the zero of resistivity, and the midpoint of the heat-capacity jump. The observed behavior is consistent with type-II superconductivity, with upper critical field at T = 0 estimated using the Werthamer-Helfand-Hohenberg theory to be 143 and 65 Oe for fields out of and in the plane, respectively. The heat-capacity discontinuity is close to the weak-coupling BCS value. Density-functional theory calculations and analysis of the electronic structure finds that PtTe is a topological semimetal with numerous surface states but suggests that the superconducting state itself may be topologically trivial. Additionally, angle-resolved photoemission spectroscopy reveals a normal-state Fermi surface in remarkable agreement with theory and confirms the overall topological nature of the material by experimental identification of the surface bands. Together, these findings identify PtTe as an interesting example of a cleavable, topological, and superconducting material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Antiferromagnetic fluctuations and orbital-selective Mott transition in the van der Waals ferromagnet Fe 3–x GeTe 2

Fe 3–x GeTe 2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes, and are the moments local or itinerant. In this work, we demonstrate that antiferromagnetic spin fluctuations coexist with the ferromagnetism through comprehensive elastic and inelastic neutron scattering and thermodynamic measurements. Our realistic dynamical mean-field theory calculations reveal that the competing magnetic fluctuations are driven by an orbital selective Mott transition (OSMT), where only the plane-perpendicular a 1g orbital of the Fe(3d) manifold remains itinerant. Our results highlight the multi-orbital character in Fe 3–x GeTe 2 that supports a rare coexistence of local and itinerant physics within this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗