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An integral LiMn 1.5 Ni 0.5 O 4 shell completely wets ∼10 μm LiCoO 2 single crystals to cut off global oxygen migration and enables >4.6 V cycling.
Solid state UV-vis reflectance spectra reveal the distinct electronic structure of POM@MOF materials obtained by synthetic encapsulation of mono- and di-vanadium substituted Keggin polyoxotungstates in HKUST-1.
We present the zero-temperature equation of state (pressure dependence of compression) and phase stability predictions for the 5d-transition metals obtained from all-electron density-functional theory (DFT) calculations. The results compare favorably with experiments but extend beyond current experimental capabilities to 10 TPa. Our study reveals phase changes that are explained from the calculated electronic structure. The cubic face-centered and body-centered structures (fcc and bcc), together with two-, three-, and four-layered hexagonal structures, play major roles under compression. The results’ dependence on the electron exchange and correlation in the DFT approach is investigated, and it is shown that the impact of the choice, while significant at lower pressures, diminishes in the terapascal regime. We further illustrate that the normal parabolic trends in atomic volume and bulk modulus with atomic number, due to the occupation of bonding and anti-bonding 5d states, break down at TPa pressures, suggesting drastically different chemical bonding at these extreme conditions.
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SUMMARY We examine regional transient changes of seismic velocities generated by the 2019 Mw 7.1 Ridgecrest earthquake in California, using autocorrelations of moving time windows in continuous waveforms recorded at regional stations. We focus on traveltime differences in a prominent phase generated by an interface around 2 km depth, associated with transmitted Pp waves and converted Ps waves from the ongoing microseismicity. Synthetic tests demonstrate the feasibility of the method for monitoring seismic velocity changes. Taking advantage of the numerous aftershocks in the early period following the main shock, we obtain a temporal resolution of velocity changes up to 20 min in the early post-main-shock period. The results reveal regional coseismic velocity drops in the top 1–3 km with an average value of ∼2 per cent over distances up to 100 km from the Ridgecrest event. These average velocity drops are likely dominated by larger changes in the shallow materials and are followed by rapid recoveries on timescales of days. Around the north end of the Ridgecrest rupture and the nearby Coso geothermal region, the observed coseismic velocity drops are up to ∼8 per cent. The method allows monitoring temporal changes of seismic velocities with high temporal resolution, fast computation and precise spatial mapping of changes. The results suggest that significant temporal changes of seismic velocities of shallow materials are commonly generated on a regional scale by large events.
ABSTRACT We use the emulation framework CosmoPower to construct and publicly release neural network emulators of cosmological observables, including the cosmic microwave background (CMB) temperature and polarization power spectra, matter power spectrum, distance-redshift relation, baryon acoustic oscillation (BAO) and redshift-space distortion (RSD) observables, and derived parameters. We train our emulators on Einstein–Boltzmann calculations obtained with high-precision numerical convergence settings, for a wide range of cosmological models including ΛCDM, wCDM, ΛCDM + Neff, and ΛCDM + Σmν. Our CMB emulators are accurate to better than 0.5 per cent out to ℓ = 104, which is sufficient for Stage-IV data analysis, and our P(k) emulators reach the same accuracy level out to $k=50 \, \, \mathrm{Mpc}^{-1}$, which is sufficient for Stage-III data analysis. We release the emulators via an online repository (CosmoPower Organisation), which will be continually updated with additional extended cosmological models. Our emulators accelerate cosmological data analysis by orders of magnitude, enabling cosmological parameter extraction analyses, using current survey data, to be performed on a laptop. We validate our emulators by comparing them to class and camb and by reproducing cosmological parameter constraints derived from Planck TT, TE, EE, and CMB lensing data, as well as from the Atacama Cosmology Telescope Data Release 4 CMB data, Dark Energy Survey Year-1 galaxy lensing and clustering data, and Baryon Oscillation Spectroscopic Survey Data Release 12 BAO and RSD data.
Here we present experimental observation of above-threshold ionization (ATI) electrons produced by ionization of the neon K shell in a laser field where intensity exceeds 10 20 W/cm 2 . An array of plastic scintillating calorimeter detectors was used to measure the high-energy electrons at four angles in the laser forward direction. Coarse energy resolution was obtained using aluminum filters of several thicknesses to block lower-energy electrons. A threshold intensity around 2×10 20 W/cm 2 is observed for production of energetic ATI electrons in the laser forward direction, with maximum electron energy exceeding 10 MeV. L-shell electrons with energies <1.4 MeV are scattered farther forward along the laser direction than expected. We present comparisons of the measured total electron energies to the predictions of Monte Carlo models employing the ADK-PPT ionization model and the Augst barrier suppression ionization model.
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The band structures of CrN are calculated using the quasiparticle self-consistent GW approach in both the low-temperature antiferromagnetic (AFM) [110] 2 Pmna orthorhombic phase and in a hypothetical ferromagnetic phase representing the paramagnetic cubic state in a saturating magnetic field. A gap of about 1 eV is found in the AFM state, while the ferromagnetic band structure is found to be half metallic. Another hypothetical AFM-1 structure [001] 1 is further considered and gives a smaller band gap. The orbital nature of the bands is studied and reveals a gap between Cr-d states, indicating a strongly correlated behavior. Here, optical dielectric functions are calculated from the interband transitions and compared to experimental data.
We report electron transport studies in an encapsulated few-layer WTe 2 at low temperatures and high magnetic fields. The magnetoconductance reveals a temperature-induced crossover between weak antilocalization and weak localization in the quantum diffusive regime. Here we show that the crossover clearly manifests coexistence and competition among several characteristic lengths, including the dephasing length, the spin-flip length, and the mean free path. In addition, low-temperature conductance increases logarithmically with the increase of temperature indicating an interplay of electron-electron interaction (EEI) and spin-orbit coupling (SOC). We demonstrate the existence and quantify the strengths of EEI and SOC which are considered to be responsible for gap opening in the quantum spin Hall state in WTe 2 at the monolayer limit.
We present a formulation of relativistic self-consistent GW for solids based on the exact two-component formalism with one-electron approximation (X2C1e) and nonrelativistic Coulomb interactions. Our theory allows us to study scalar relativistic effects, spin-orbit coupling, and the interplay of relativistic effects with electron correlation without adjustable parameters. Our all-electron implementation is fully ab initio and does not require a pseudopotential constructed from atomic calculations. We examine the effect of the X2C1e approximation by comparison to the established four-component formalism and reach an excellent agreement. The simplicity of X2C1e enables the construction of higher order theories, such as embedding theories, on top of perturbative calculations.
The terahertz (THz) electrodynamics of few-layer WTe 2 is dominated by the plasmon response. However, THz surface plasmons (SPs) with long wavelengths in two-dimensional exfoliated crystals are typically confined by the lateral geometry. Direct visualization of the plasmonic standing wave patterns is challenging due to the spatial confinement and low quality factor of the SP, especially for samples that are only a few monolayers thick. Here, we resolve subtle real-space features of the plasmonic response of WTe 2 by augmenting more common scattering amplitude experiments with the phase contrast accomplished within the time-domain version of THz nanoimaging. Amplitude and phase images allow us to quantitatively evaluate the evolution of the plasmonic response at cryogenic temperatures in samples with variable thickness from 3 to 12 monolayers. Further, the proposed imaging modality is universally applicable to the THz near-field nanoscopy of low-dimensional materials.
Here, we present here a formalism based on time-dependent density functional theory to describe characteristics of both intra- and intervalley excitons in semiconductors, the latter of which had remained a challenge. Through the usage of an appropriate exchange-correlation kernel (nanoquanta), we trace the energy difference between the intra- and intervalley dark excitons in monolayer (1L) W Se 2 to the domination of the exchange part in the exchange-correlation energies of these states. Furthermore, our calculated transition contribution maps establish the momentum resolved weights of the electron-hole excitations in both bright and dark excitons thereby providing a comprehensive understanding of excitonic properties of 1L W Se 2 . We find that the states consist of hybridized excitations around the corresponding valleys which leads to brightening of the dark excitons, i.e., significantly decreasing their lifetime which is reflected in the PL spectrum. Using many-body perturbation theory, we calculate the phonon contribution to the energy band gap and the linewidths of the excited electrons, holes, and (bright) exciton to find that as the temperature increases the band gap significantly decreases, while the linewidths increase. Our work paves for describing the ultrafast charge dynamics of transition metal dichalcogenide within an ab initio framework.
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