Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays

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Magnetic field dependence of quantum dot ground states

We study the ground states of a planar quantum dot with N = 5,6,7 electrons, in the presence of a perpendicular magnetic field. Using a spatially unrestricted Hartree Fock technique followed by spin and angular momentum symmetry restoration, chemical potentials are calculated and transitions between different ground states are identified. A spin blockade in the 6 -> 7 transition is found. The structure of the quantum dot wave functions is illustrated by their electron densities. (c) 2007 Elsevier B.V. All rights reserved.

High harmonics generation from structured nanorings

In this work we study the radiation diffused by a fictitious structured nanoring driven by an intense laser field. In our model we consider an electron moving through a cosine-shape potential. The results show that the ring, under particular conditions, emits a wide spectrum of harmonics.

Quantum correlation of electron and ion energy in the dissociative strong-field ionization of H2

We report on the strong field ionization of H2 by a corotating two-color laser field. We measure the electron momentum distribution in coincidence with the kinetic energy release (KER) of dissociating hydrogen molecules. In addition to a characteristic half-moon structure, we observe a low-energy structure in the electron momentum distribution at a KER of about 3.5 eV. We speculate that the outgoing electron interacts with the molecular ion, despite the absence of classical recollisions under these conditions. Time-dependent density functional theory simulations support our conclusions.

Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe

In nodal-line semimetals linearly dispersing states form Dirac loops in the reciprocal space, with high degree of electron-hole symmetry and almost-vanishing density of states near the Fermi level. The result is reduced electronic screening and enhanced correlations between Dirac quasiparticles. Here we investigate the electronic structure of ZrSiSe, by combining time- and angle-resolved photoelectron spectroscopy with ab initio density functional theory (DFT) complemented by an extended Hubbard model (DFT +U +V). We show that electronic correlations are reduced on an ultrashort timescale by optical excitation of high-energy electrons-hole pairs, which transiently screen the Coulomb interac…

Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory

We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoemission including multiphoton effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near-infrared…

Attosecond control of dissociative ionization of O2molecules

We demonstrate that dissociative ionization of O(2) can be controlled by the relative delay between an attosecond pulse train (APT) and a copropagating infrared (IR) field. Our experiments reveal a dependence of both the branching ratios between a range of electronic states and the fragment angular distributions on the extreme ultraviolet (XUV) to IR time delay. The observations go beyond adiabatic propagation of dissociative wave packets on IR-induced quasistatic potential energy curves and are understood in terms of an IR-induced coupling between electronic states in the molecular ion.

Transport properties of quantum dots in the Wigner molecule regime

The transport properties of quantum dots with up to N=7 electrons ranging from the weak to the strong interacting regime are investigated via the projected Hartree-Fock technique. As interactions increase radial order develops in the dot, with the formation of ring and centered-ring structures. Subsequently, angular correlations appear, signalling the formation of a Wigner molecule state. We show striking signatures of the emergence of Wigner molecules, detected in transport. In the linear regime, conductance is exponentially suppressed as the interaction strength grows. A further suppression is observed when centered-ring structures develop, or peculiar spin textures appear. In the nonline…

Generation and Evolution of Spin-, Valley-, and Layer-Polarized Excited Carriers in Inversion-Symmetric WSe2

We report the spin-selective optical excitation of carriers in inversion-symmetric bulk samples of the transition metal dichalcogenide (TMDC) ${\mathrm{WSe}}_{2}$. Employing time- and angle-resolved photoelectron spectroscopy (trARPES) and complementary time-dependent density functional theory (TDDFT), we observe spin-, valley-, and layer-polarized excited state populations upon excitation with circularly polarized pump pulses, followed by ultrafast ($l100\text{ }\text{ }\mathrm{fs}$) scattering of carriers towards the global minimum of the conduction band. TDDFT reveals the character of the conduction band, into which electrons are initially excited, to be two-dimensional and localized wit…

Floquet states in dissipative open quantum systems

Abstract We theoretically investigate basic properties of nonequilibrium steady states of periodically-driven open quantum systems based on the full solution of the Maxwell–Bloch equation. In a resonant driving condition, we find that the transverse relaxation, also known as decoherence, significantly destructs the formation of Floquet states while the longitudinal relaxation does not directly affect it. Furthermore, by evaluating the quasienergy spectrum of the nonequilibrium steady states, we demonstrate that Rabi splitting can be observed as long as the decoherence time is as short as one third of the Rabi-cycle. Moreover, we find that Floquet states can be formed even under significant …

Light-induced anomalous Hall effect in massless Dirac fermion systems and topological insulators with dissipation

Employing the quantum Liouville equation with phenomenological dissipation, we investigate the transport properties of massless and massive Dirac fermion systems that mimics graphene and topological insulators, respectively. The massless Dirac fermion system does not show an intrinsic Hall effect, but it shows a Hall current under the presence of circularly-polarized laser fields as a nature of a optically-driven nonequilibrium state. Based on the microscopic analysis, we find that the light-induced Hall effect mainly originates from the imbalance of photocarrier distribution in momentum space although the emergent Floquet–Berry curvature also has a non-zero contribution. We further compute…

Spin projected unrestricted Hartree-Fock ground states for harmonic quantum dots

We report results for the ground state energies and wave functions obtained by projecting spatially unrestricted Hartree Fock states to eigenstates of the total spin and the angular momentum for harmonic quantum dots with $N\leq 12$ interacting electrons including a magnetic field states with the correct spatial and spin symmetries have lower energies than those obtained by the unrestricted method. The chemical potential as a function of a perpendicular magnetic field is obtained. Signature of an intrinsic spin blockade effect is found.

Microscopic theory for the light-induced anomalous Hall effect in graphene

We employ a quantum Liouville equation with relaxation to model the recently observed anomalous Hall effect in graphene irradiated by an ultrafast pulse of circularly polarized light. In the weak-field regime, we demonstrate that the Hall effect originates from an asymmetric population of photocarriers in the Dirac bands. By contrast, in the strong-field regime, the system is driven into a non-equilibrium steady state that is well-described by topologically non-trivial Floquet-Bloch bands. Here, the anomalous Hall current originates from the combination of a population imbalance in these dressed bands together with a smaller anomalous velocity contribution arising from their Berry curvature…

Monitoring Electron-Photon Dressing in WSe 2

Optical pumping of solids creates a non-equilibrium electronic structure where electrons and photons combine to form quasiparticles of dressed electronic states. The resulting shift of electronic levels is known as the optical Stark effect, visible as a red shift in the optical spectrum. Here we show that in a pump-probe setup we can uniquely define a non-equilibrium quasiparticle bandstructure that can be directly measurable with photoelectron spectroscopy. The dynamical photon-dressing (and undressing) of the many-body electronic states can be monitored by pump-probe time and angular resolved photoelectron spectroscopy (tr-ARPES) as the photon-dressed bandstructure evolves in time dependi…

High harmonic generation from structured nanorings

Spin and rotational symmetries in unrestricted Hartree–Fock states of quantum dots

Ground state energies are obtained using the unrestricted Hartree Fock method for up to four interacting electrons parabolically confined in a quantum dot subject to a magnetic field. Restoring spin and rotational symmetries we recover Hund first rule. With increasing magnetic field, crossovers between ground states with different quantum numbers are found for fixed electron number that are not reproduced by the unrestricted Hartree Fock approximation. These are consistent with the ones obtained with more refined techniques. We confirm the presence of a spin blockade due to a spin mismatch in the ground states of three and four electrons.

Generation and Evolution of Spin-, Valley-, and Layer-Polarized Excited Carriers in Inversion-Symmetric WSe2

We report the spin-selective optical excitation of carriers in inversion-symmetric bulk samples of the transition metal dichalcogenide (TMDC) WSe2. Employing time- and angle-resolved photoelectron spectroscopy (trARPES) and complementary time-dependent density functional theory (TDDFT), we observe spin-, valley-, and layer-polarized excited state populations upon excitation with circularly polarized pump pulses, followed by ultrafast ( < 100     fs ) scattering of carriers towards the global minimum of the conduction band. TDDFT reveals the character of the conduction band, into which electrons are initially excited, to be two-dimensional and localized within individual layers, whereas at t…

Modelling the effect of nuclear motion on the attosecond time-resolved photoelectron spectra of ethylene

arXiv:1403.5408