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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Topological Insulators in Twisted Transition Metal Dichalcogenide Homobilayers

We show that moiré bands of twisted homobilayers can be topologically nontrivial, and illustrate the tendency by studying valence band states in ± K valleys of twisted bilayer transition metal dichalcogenides, in particular, bilayer MoTe 2 . Because of the large spin-orbit splitting at the monolayer valence band maxima, the low energy valence states of the twisted bilayer MoTe 2 at the + K (– K ) valley can be described using a two-band model with a layer-pseudospin magnetic field Δ(r) that has the moiré period. We show that Δ(r) has a topologically nontrivial skyrmion lattice texture in real space, and that the topmost moiré valence bands provide a realization of the Kane-Mele quantum spin-Hall model, i.e., the two-dimensional time-reversal-invariant topological insulator. As a result, the bands narrow at small twist angles, a rich set of broken symmetry insulating states can occur at integer numbers of electrons per moiré cell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Valley-dependent exciton fine structure and Autler–Townes doublets from Berry phases in monolayer MoSe 2

The Berry phase of Bloch states can have profound effects on electron dynamics and lead to novel transport phenomena, such as the anomalous Hall effect and the valley Hall effect. Recently, it was predicted that the Berry phase effect can also modify the exciton states in transition metal dichalcogenide monolayers, and lift the energy degeneracy of exciton states with opposite angular momentum through an effective valley-orbital coupling. Here, we report the observation and control of the Berry phase-induced splitting of the 2p exciton states in monolayer molybdenum diselenide (MoSe 2 ) using the intraexciton optical Stark spectroscopy. We observe the time-reversal-symmetric analogue of the orbital Zeeman effect resulting from the valley-dependent Berry phase, which leads to energy difference of +14 (-14) meV between the 2p+ and 2p- exciton states in the K (K') valley, consistent with the ordering from our ab initio GW-Bethe–Salpeter equation results. In addition, we show that the light–matter coupling between intraexciton states is remarkably strong, leading to a prominent valley-dependent Autler–Townes doublet under resonant driving. Finally, our study opens up pathways to coherently manipulate the quantum states and excitonic excitation with infrared radiation in two-dimensional semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spin-polarization anisotropy controlled by bending in tungsten diselenide nanoribbons and tunable excitonic states

A WSe 2 monolayer shows many interesting properties due to its spin-orbit coupling induced spin splitting in bands around the Fermi level and the spin-valley configuration. The orientation of the spin polarization in the relevant bands is crucial for the nature of exciton states and the optical valley selectivity. In this work, we studied the WSe 2 nanoribbons under different mechanical bending curvatures and electron/hole doping with density functional theory and their optical absorption and excitonic states with many-body perturbation GW and BSE (Bethe-Salpeter equation) methods. We found that the WSe 2 nanoribbons can exhibit an enhanced SOC effect and a spatially varying spin polarization in bands around the Fermi level under bending. The spin-polarization can show an anisotropy (or asymmetry) in those nearly degenerate bands, leading to a controllable magnetism via bending and electron/hole doping to the nanoribbons, suggesting a potential application in compact and controllable magnetic nanodevices and spintronics. The optical absorption spectrum of the nanoribbon presents a large tunability with bending within the near infrared region of about 0.4 to 1.5 eV, showing an enhanced absorption at a large bending condition. Finally, the exciton states generally show mixed or various spin configuration in the electron and hole pairs that are controlled by bending, potentially useful for applications in spin-based quantum information processes.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effective tight-binding model for M X 2 under electric and magnetic fields

We present a systematic method for developing a five band Hamiltonian for the metal d orbitals that can be used to study the effect of electric and magnetic fields on multilayer MX 2 (M=Mo,W and X=S,Se) systems. On a hexagonal lattice of d orbitals, the broken inversion symmetry of the monolayers is incorporated via fictitious s orbitals at the chalcogenide sites. A tight-binding Hamiltonian is constructed and then downfolded to get effective d orbital overlap parameters using quasidegenerate perturbation theory. The steps to incorporate the effects of multiple layers, external electric and magnetic fields are also detailed. We find that an electric field produces a linear-k Rashba splitting around the Γ point, while a magnetic field removes the valley pseudospin degeneracy at the ±K points. Lastly, our model provides a simple tool to understand the recent experiments on electric and magnetic control of valley pseudospin in monolayer dichalcogendies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Exciton diamagnetic shifts and valley Zeeman effects in monolayer WS 2 and MoS 2 to 65 Tesla

In bulk and quantum-confined semiconductors, magneto-optical studies have historically played an essential role in determining the fundamental parameters of excitons (size, binding energy, spin, dimensionality and so on). Here we report low-temperature polarized reflection spectroscopy of atomically thin WS 2 and MoS 2 in high magnetic fields to 65 T. Both the A and B excitons exhibit similar Zeeman splittings of approximately –230 μeV T–1 (g-factor ≃–4), thereby quantifying the valley Zeeman effect in monolayer transition-metal disulphides. Crucially, these large fields also allow observation of the small quadratic diamagnetic shifts of both A and B excitons in monolayer WS 2 , from which radii of ~1.53 and ~1.16 nm are calculated. Further, when analysed within a model of non-local dielectric screening, these diamagnetic shifts also constrain estimates of the A and B exciton binding energies (410 and 470 meV, respectively, using a reduced A exciton mass of 0.16 times the free electron mass). Lastly, these results highlight the utility of high magnetic fields for understanding new two-dimensional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Detector-size upper bounds on dark hadron lifetime from cosmology

We show that in a confining hidden valley model where the lightest hidden particles are dark hadrons that have mass splittings larger than \( \mathcal{O}(0.1) \) GeV, if the lightest dark hadron is either stable or decays into Standard Model (SM) hadrons/charged leptons during the big-bang nucleosynthesis (BBN), at least one of the heavier dark hadrons needs to decay into SM particles within \( \mathcal{O}(10) \) nanosec. Once being produced at collider experiments, this heavier dark hadron is likely to decay within \( \mathcal{O}(10) \) meter distance, which strengthens the motivation of searching for long-lived particles with sub-meter scale decay lengths at colliders. To illustrate the idea, we study the lifetime constraint in scenarios where the lightest dark particle is a pseudo-scalar meson, and dark hadrons couple to SM particles either through kinetic mixing between the SM and dark photons or by mixing between the SM and dark Higgs. We study the annihilation and decay of dark hadrons in a thermal bath and calculate upper bounds on the lightest vector meson (scalar hadron) lifetime in the kinetic mixing (Higgs portal) scenario. We discuss the application of these lifetime constraints in long-lived particle searches that use the LHCb VELO or the AT-LAS/CMS inner detectors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Magnetic field mixing and splitting of bright and dark excitons in monolayer MoSe 2

Monolayers of semiconducting transition metal dichalcogenides (TMDCs) with unique spin-valley contrasting properties and remarkably strong excitonic effects continue to be a subject of intense research interests. These model 2D semiconductors feature two fundamental intravalley excitons species - optically accessible ' bright' excitons with anti-parallel spins and optically inactive 'dark' excitons with parallel spins. For applications exploiting radiative recombination of bright excitons or long lifetime dark excitons, it is essential to understand the radiative character of the exciton ground state and establish the energy separation between the lowest energy bright and dark excitons. Herein, we report a direct spectroscopic measure of dark excitons in monolayer MoSe 2 encapsulated in hexagonal boron nitride. By applying strong in-plane magnetic field, we induce mixing and splitting of bright and dark exciton branches, which enables an accurate spectroscopic determination of their energies. We confirm the bright character of the exciton ground state separated by a 1.5 meV gap from the higher energy dark exciton state, much smaller compared to the previous theoretical expectations. These results offer critical information for further improvement of the accurate theoretical description of TMDCs electronic structure.

molybdenum diselenide↗
DOE OSTI2018

Floquet Engineering of Gapped 2D Materials

It is demonstrated theoretically that the interaction of gapped 2D materials (gapped graphene and transition metal dichalchogenide monolayers) with a strong high-frequency electromagnetic field (dressing field) crucially changes the band structure of the materials. As a consequence, the renormalized band structure of the materials drastically depends on the field polarization. Particularly, a linearly polarized dressing field always decreases band gaps, whereas a circularly polarized field breaks the equivalence of band valleys in different points of the Brillouin zone and can both increase and decrease corresponding band gaps. It is shown also that a dressing field can turn both the band gaps and the spin splitting of the bands into zero. As a result, the dressing field can serve as an effective tool to control spin and valley properties of the materials in various optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Spatial Separation of Carrier Spin by the Valley Hall Effect in Monolayer WSe 2 Transistors

We investigate the valley Hall effect (VHE) in monolayer WSe 2 field-effect transistors using optical Kerr rotation measurements at 20 K. While studies of the VHE have so far focused on n-doped MoS 2 , we observe the VHE in WSe 2 in both the n- and p-doping regimes. Hole doping enables access to the large spin-splitting of the valence band of this material. The Kerr rotation measurements probe the spatial distribution of the valley carrier imbalance induced by the VHE. Under current flow, we observe distinct spin-valley polarization along the edges of the transistor channel. From analysis of the magnitude of the Kerr rotation, we infer a spin-valley density of 44 spins/μm, integrated over the edge region in the p-doped regime. As a result, assuming a spin diffusion length less than 0.1 μm, this corresponds to a spin-valley polarization of the holes exceeding 1%.

42 ENGINEERING↗
DOE OSTI2015

Polarized spin and valley transport across ferromagnetic silicene junctions

We study ballistic transport of Dirac fermions through silicene barriers, of width d, with an exchange field M and metallic gates above them that provide tunable potentials of height U. Away from the Dirac point (DP), the spin- and valley-resolved conductances, as functions of U, exhibit resonances and close to it a pronounced dip that becomes a transport gap when an appropriate electric field E{sub z} is applied. The charge conductance g{sub c} of such a junction changes from oscillatory to a monotonically decreasing function of d beyond a critical E{sub z}. This change of g{sub c} can be used to realize electric-field-controlled switching. The field M splits each resonance of g{sub c} in two spin-resolved peaks. The spin p{sub s} and valley p{sub v} polarizations of the current near the DP increase with E{sub z} or M and become nearly perfect above certain of their values. We also show that p{sub s} and p{sub v} can be inverted either by reversing the polarity of U or the direction of M. For two barriers, there is no splitting in g{sub c} when the fields M are in opposite directions. Most of these phenomena have no analogs in graphene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Magnetic brightening and control of dark excitons in monolayer WSe 2

Monolayer transition metal dichalcogenide crystals, as direct-gap materials with strong light–matter interactions, have attracted much recent attention. Because of their spin-polarized valence bands and a predicted spin splitting at the conduction band edges, the lowest-lying excitons in WX 2 (X = S, Se) are expected to be spin-forbidden and optically dark. To date, however, there has been no direct experimental probe of these dark excitons. Here, we show how an in-plane magnetic field can brighten the dark excitons in monolayer WSe2 and permit their properties to be observed experimentally. Precise energy levels for both the neutral and charged dark excitons are obtained and compared with ab initio calculations using the GW-BSE approach. As a result of their spin configuration, the brightened dark excitons exhibit much-increased emission and valley lifetimes. Furthermore, these studies directly probe the excitonic spin manifold and reveal the fine spin-splitting at the conduction band edges.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Budyko shape parameter as a descriptive index for streamflow loss

Increases in evapotranspiration (ET) from global warming are decreasing streamflow in headwater basins worldwide. However, these streamflow losses do not occur uniformly due to complex topography. To better understand the heterogeneity of streamflow loss, we use the Budyko shape parameter (ω) as a diagnostic tool. We fit ω to 37-year of hydrologic simulation output in the Upper Colorado River Basin (UCRB), an important headwater basin in the US. We split the UCRB into two categories: peak watersheds with high elevation and steep slopes, and valley watersheds with lower elevation and gradual slopes. Our results demonstrate a relationship between streamflow loss and ω. The valley watersheds with greater streamflow loss have ω higher than 3.1, while the peak watersheds with less streamflow loss have an average ω of 1.3. This work highlights the use of ω as an indicator of streamflow loss and could be generalized to other headwater basin systems.

large scale analysis↗
DOE OSTI2020

Photoinduced charge transfer in transition metal dichalcogenide heterojunctions – towards next generation energy technologies

Increasing interest in using two-dimensional transition metal dichalcogenides (2D TMDCs) in optical energy conversion technologies creates a demand for improving the yields and lifetimes of photogenerated charge carriers. Despite inherently fast photocarrier decay in neat 2D TMDCs, the unique photophysics in these quantum-confined systems motivates continued effort to control the evolution of photoexcited states and create functional devices. Here, an intriguing strategy to accomplish this goal is to employ TMDCs in heterojunctions with appropriate semiconductors, where energy level offsets drive photoinduced charge transfer (PCT) across material interfaces. PCT in TMDC-based systems can be optimized for many different applications, such as driving free carriers to photocatalytic sites for redox reactions like water splitting, extracting charge to perform work in photovoltaics or photodetectors, and manipulating the spin and momentum valley electronic degrees of freedom for quantum computing systems. Here, we review recent strides in optimizing PCT for such applications through greater fundamental understanding of the photophysics that occurs at TMDC/semiconductor interfaces. After giving an overview of isolated TMDC properties, synthetic methods, and the basics of PCT, we discuss TMDCs in heterojunctions with several classes of materials, including other TMDCs, small molecule semiconductors, polymers, single-walled carbon nanotubes, quantum dots, perovskites, and electrolytes. In addition to highlighting the unique benefits of each materials category, we also identify parallels across common themes, such as the roles of charge-transfer states, spin, electronic coupling, delocalization, interfacial atomic morphology, and the precise design of energy landscapes to direct charge and energy motion. We hope to capture a broad range of the valuable work in this fast-paced field to inspire new research directions for employing PCT in targeted TMDC-based systems.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Probing Galaxy Evolution in Massive Clusters Using ACT and DES: Splashback as a Cosmic Clock

In this work, we measure the projected number density profiles of galaxies and the splashback feature in clusters selected by the Sunyaev–Zel'dovich effect from the Advanced Atacama Cosmology Telescope (AdvACT) survey using galaxies observed by the Dark Energy Survey (DES). The splashback radius is consistent with CDM-only simulations and is located at 2.4$_{-0.4}^{+0.3}$ Mpch -1 . We split the galaxies on color and find significant differences in their profile shapes. Red and green-valley galaxies show a splashback-like minimum in their slope profile consistent with theory, while the bluest galaxies show a weak feature at a smaller radius. We develop a mapping of galaxies to subhalos in simulations and assign colors based on infall time onto their hosts. We find that the shift in location of the steepest slope and different profile shapes can be mapped to the average time of infall of galaxies of different colors. The steepest slope traces a discontinuity in the phase space of dark matter halos. By relating spatial profiles to infall time, we can use splashback as a clock to understand galaxy quenching. We find that red galaxies have on average been in clusters over 3.2 Gyr, green galaxies about 2.2 Gyr, while blue galaxies have been accreted most recently and have not reached apocenter. Using the full radial profiles, we fit a simple quenching model and find that the onset of galaxy quenching occurs after a delay of about a gigayear and that galaxies quench rapidly thereafter with an exponential timescale of 0.6 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Hidden Spin-Valley Locking Stabilizes Nanosecond Spin Polarization in 2D Perovskites

Room-temperature spin control in semiconductors is fundamental to spin-optoelectronics. Although inversion symmetry breaking offers one path for spin control in semiconductors, strong spin dephasing at elevated temperatures remains a persistent limitation. Hidden spin polarization without global symmetry breaking provides another promising material design strategy, but robust spin stabilization from this effect has yet to be experimentally realized. Here we show spin stabilization at room temperature in two-dimensional hybrid organic-inorganic perovskites through hidden spin-valley locking. We use functional non-primary ammonium cations to induce symmetry-breaking distortions in the metal-halide layers, producing giant local spin splitting while preserving global inversion symmetry. Time-resolved circular dichroism measurements reveal optically generated spin-polarized carriers that persist for 686 ps in (AzOH)2PbI4 and 4.7 ns in the lead-free analogue (AzOH)2SnI4 at room temperature, without an external magnetic field. First-principles calculations suggest that these long lifetimes arise from hidden spin valleys, enhanced dielectric screening and reduced spin-orbit-induced scattering in the Sn-based compound. Our design paradigm unlocks inversion-symmetric semiconductors with ultralong spin lifetimes, broadening the materials options for light-driven spin control.

14 SOLAR ENERGY↗
DOE OSTI2015

Negative electronic compressibility and tunable spin splitting in WSe 2

We report that tunable bandgaps, extraordinarily large exciton-binding energies, strong light-matter coupling and a locking of the electron spin with layer and valley pseudospins have established transition-metal dichalcogenides (TMDs) as a unique class of two-dimensional (2D) semiconductors with wide-ranging practical applications. Using angle-resolved photoemission (ARPES), we show here that doping electrons at the surface of the prototypical strong spin-orbit TMD WSe 2 , akin to applying a gate voltage in a transistor-type device, induces a counterintuitive lowering of the surface chemical potential concomitant with the formation of a multivalley 2D electron gas (2DEG). These measurements provide a direct spectroscopic signature of negative electronic compressibility (NEC), a result of electron-electron interactions, which we find persists to carrier densities approximately three orders of magnitude higher than in typical semiconductor 2DEGs that exhibit this effect. An accompanying tunable spin splitting of the valence bands further reveals a complex interplay between single-particle band-structure evolution and many-body interactions in electrostatically doped TMDs. Lastly, understanding and exploiting this will open up new opportunities for advanced electronic and quantum-logic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Experimental Observation of Hidden Berry Curvature in Inversion-Symmetric Bulk 2 H - WSe 2

We investigate the hidden Berry curvature in bulk 2 H -WSe 2 by utilizing the surface sensitivity of angle resolved photoemission (ARPES). The symmetry in the electronic structure of transition metal dichalcogenides is used to uniquely determine the local orbital angular momentum (OAM) contribution to the circular dichroism (CD) in ARPES. The extracted CD signals for the K and K ′ valleys are almost identical, but their signs, which should be determined by the valley index, are opposite. In addition, the sign is found to be the same for the two spin-split bands, indicating that it is independent of spin state. These observed CD behaviors are what are expected from Berry curvature of a monolayer of WSe 2 . In order to see if CD-ARPES is indeed representative of hidden Berry curvature within a layer, we use tight binding analysis as well as density functional calculation to calculate the Berry curvature and local OAM of a monolayer WSe 2 . We find that measured CD-ARPES is approximately proportional to the calculated Berry curvature as well as local OAM, further supporting our interpretation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tracing the green valley with entropic thresholding

ABSTRACT The green valley represents the population of galaxies that are transitioning from the actively star-forming blue cloud to the passively evolving red sequence. Studying the properties of the green valley galaxies is crucial for our understanding of the exact mechanisms and processes that drive this transition. The green valley does not have a universally accepted definition. The boundaries of the green valley are often determined by empirical lines that are subjective and vary across studies. We present an unambiguous definition of the green valley in the colour–stellar mass plane using the entropic thresholding. We first divide the galaxy population into the blue cloud and the red sequence based on a colour threshold that minimizes the intraclass variance and maximizes the interclass variance. Our method splits the region between the mean colours of the blue cloud and the red sequence into three parts by maximizing the total entropy of that region. We repeat our analysis in a number of independent stellar mass bins to define the boundaries of the green valley in the colour–mass diagram. Our method provides a robust and natural definition of the green valley.

Pandey, Biswajit (ORCID:000000017876595X)↗