Publications

To which extent dominate intra- or inter-band transitions the optical response of dielectrics when pumped by few-cycle near-infrared transient electric field?In order to find an answer to this question we investigate the dynamical Franz-Keldyshe effect (DFKE) in polycrystalline diamond and discuss in details the attoseocond delay of the induced electron dynamics with regards to the driving transient electric field while the peak intensity is varied between 1 to 10  1012 W/cm2. We found that the main oscillating feature in transient absorption at 43 eV is in phase with the electric eld of the pump, to within 49 as78 as. However, the phase delay shows a slightly asymmetric V-saphed linear energy dispersion with a rate of about 200 as/eV. Theoretical calculations within the dipole approximation reproduce the data and allow us to conclude that intra-band motion dominates in the investigated pump intensity range.

The integration of substitutional dopants at predetermined positions along the hexagonal lattice of graphene- derived polycyclic aromatic hydrocarbons is a critical tool in the design of functional electronic materials. Here we report the unusually mild thermally induced oxidative cyclodehydrogenation of dianthryl pyrazino[2,3-g]quinoxalines to form the four covalent C–N bond in tetraazateranthene on Au(111) and Ag(111) surfaces. Bondresolved scanning probe microscopy, differential conductance spectroscopy, along with first principles calculations unambiguously confirm the structural assignment. Detailed mechanistic analysis based on ab -initio DFT calculations reveals a stepwise mechanism featuring a rate determining barrier of only DE‡ = 0.6 eV, consistent with the experimentally observed reaction conditions.

Dirac and Weyl semimetals both exhibit arc-like surface states. However, whereas the surface Fermi arcs in Weyl semimetals are topological consequences of the Weyl points themselves, the surface Fermi arcs in Dirac semimetals are not directly related to the bulk Dirac points, raising the question of whether there exists a topological bulk-boundary correspondence for Dirac semimetals. In this work, we discover that strong and fragile topological Dirac semimetals exhibit one-dimensional (1D) higher-order hinge Fermi arcs (HOFAs) as universal, direct consequences of their bulk 3D Dirac points. To predict HOFAs coexisting with topological surface states in solid-state Dirac semimetals, we introduce and layer a spinful model of an s–d-hybridized quadrupole insulator (QI). We develop a rigorous nested Jackiw–Rebbi formulation of QIs and HOFA states. Employing ab initio calculations, we demonstrate HOFAs in both the room- (α) and intermediate-temperature (α″) phases of Cd3As2, KMgBi, and rutile-structure (𝛽′-) PtO2.

Cosmic voids are biased tracers of the large-scale structure of the universe. Separate universe simulations (SUS) enable accurate measurements of this biasing relation by implementing the peak-background split (PBS). In this work, we apply the SUS technique to measure the void bias parameters. We confirm that the PBS argument works well for underdense tracers. The response of the void size distribution depends on the void radius. For voids larger (smaller) than the size at the peak of the distribution, the void abundance responds negatively (positively) to a long wavelength mode. The linear bias from the SUS is in good agreement with the cross power spectrum measurement on large scales. Using the SUS, we have detected the quadratic void bias for the first time in simulations. We find that $ b_2 $ is negative when the magnitude of $ b_1 $ is small, and that it becomes positive and increases rapidly when $ |b_1| $ increases. We compare the results from voids identified in the halo density field with those from the dark matter distribution, and find that the results are qualitatively similar, but the biases generally shift to the larger voids sizes.

When using an electron microscope for imaging of particles embedded in vitreous ice, the recorded image, or micrograph, is a significantly degraded version of the tomographic projection of the sample. Apart from noise, the image is affected by the optical configuration of the microscope. This transformation is typically modeled as a convolution with a point spread function. The Fourier transform of this function, known as the contrast transfer function (CTF), is oscillatory, attenuating and amplifying different frequency bands, and sometimes flipping their signs. High-resolution reconstruction requires this CTF to be accounted for, but as its form depends on experimental parameters, it must first be estimated from the micrograph. We present a new method for CTF estimation based on multitaper techniques that reduce bias and variance in the estimate. We also use known properties of the CTF and the background power spectrum to further reduce the variance through background subtraction and steerable basis projection. We show that the resulting power spectrum estimates better capture the zero-crossings of the CTF and yield accurate CTF estimates on several experimental micrographs.

The quantum anomalous Hall effect is a fundamental transport response of a topologically non-trivial system in zero magnetic field. Its physical origin relies on the intrinsically inverted electronic band structure and ferromagnetism, and its most consequential manifestation is the dissipation-free flow of chiral charge currents at the edges that can potentially transform future quantum electronics. Here we report a previously unknown Berry-curvature-driven anomalous Hall regime ('Q-window') at above-Kelvin temperatures in the magnetic topological bulk crystals where through growth Mn ions self-organize into a period-ordered MnBi2Te4/Bi2Te3 superlattice. Robust ferromagnetism of the MnBi2Te4 monolayers opens a large surface gap, and anomalous Hall conductance reaches an e^2/h quantization plateau when the Fermi level is tuned into this gap within a Q-window in which the anomalous Hall conductance from the bulk is to a high precision zero. The quantization in this new regime is not obstructed by the bulk conduction channels and thus should be present in a broad family of topological magnets.

An important component of many image alignment methods is the calculation of inner products (correlations) between an image of $n\times n$ pixels and another image translated by some shift and rotated by some angle. For robust alignment of an image pair, the number of considered shifts and angles is typically high, thus the inner product calculation becomes a bottleneck. Existing methods, based on fast Fourier transforms (FFTs), compute all such inner products with computational complexity $\mathcal{O}(n^3 \log n)$ per image pair, which is reduced to $\mathcal{O}(N n^2)$ if only $N$ distinct shifts are needed. We propose to use a factorization of the translation kernel (FTK), an optimal interpolation method which represents images in a Fourier--Bessel basis and uses a rank-$H$ approximation of the translation kernel via an operator singular value decomposition (SVD). Its complexity is $\mathcal{O}(Hn(n + N))$ per image pair. We prove that $H = \mathcal{O}((W + \log(1/\epsilon))^2)$, where $2W$ is the magnitude of the maximum desired shift in pixels and $\epsilon$ is the desired accuracy. For fixed $W$ this leads to an acceleration when $N$ is large, such as when sub-pixel shift grids are considered. Finally, we present numerical results in an electron cryomicroscopy application showing speedup factors of $3$-$10$ with respect to the state of the art.

Single-particle electron cryomicroscopy is an essential tool for high-resolution 3D reconstruction of proteins and other biological macromolecules. An important challenge in cryo-EM is the reconstruction of non-rigid molecules with parts that move and deform. Traditional reconstruction methods fail in these cases, resulting in smeared reconstructions of the moving parts. This poses a major obstacle for structural biologists, who need high-resolution reconstructions of entire macromolecules, moving parts included. To address this challenge, we present a new method for the reconstruction of macromolecules exhibiting continuous heterogeneity. The proposed method uses projection images from multiple viewing directions to construct a graph Laplacian through which the manifold of three-dimensional conformations is analyzed. The 3D molecular structures are then expanded in a basis of Laplacian eigenvectors, using a novel generalized tomographic reconstruction algorithm to compute the expansion coefficients. These coefficients, which we name spectral volumes, provide a high-resolution visualization of the molecular dynamics. We provide a theoretical analysis and evaluate the method empirically on several simulated data sets.

We present near-infrared interferometric data on the Seyfert 2 galaxy NGC 1068, obtained with the GRAVITY instrument on the European Southern Observatory Very Large Telescope Interferometer. The extensive baseline coverage from 5 to 60 M\lambda allowed us to reconstruct a continuum image of the nucleus with an unrivaled 0.2 pc resolution in the K-band. We find a thin ring-like structure of emission with a radius r = 0.24+/-0.03 pc, inclination i = 70+/-5 deg, position angle PA = -50+/-4 deg, and h/r < 0.14, which we associate with the dust sublimation region. The observed morphology is inconsistent with the expected signatures of a geometrically and optically thick torus. Instead, the infrared emission shows a striking resemblance to the 22 GHz maser disc, which suggests they share a common region of origin. The near-infrared spectral energy distribution indicates a bolometric luminosity of (0.4-4.7) x 10^45 erg/s, behind a large A_K ~ 5.5 (A_V ~ 90) screen of extinction that also appears to contribute significantly to obscuring the broad line region.

We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given set of Wannier orbitals. However, different representations of the continuum theory lead to different low-energy formulations, because different representations may entangle light and matter, transforming orbitals into light-matter hybrid states before the projection. In particular, a multi-center Power-Zienau-Woolley transformation yields a dipolar Hamiltonian which incorporates the light-matter coupling via both Peierls phases and a polarization density. We compare this dipolar gauge Hamiltonian and the straightforward Coulomb gauge Hamiltonian for a one-dimensional solid, to describe sub-cycle light-driven electronic motion in the semiclassical limit, and a coupling of the solid to a quantized cavity mode which renormalizes the band-structure into electron-polariton bands. Both descriptions yield the same result when many bands are taken into account, but the dipolar Hamiltonian is more accurate when the model is restricted to few electronic bands, while the Coulomb Hamiltonian requires fewer electromagnetic modes.