Dynamical Localization in Quasi-Periodic Driven Systems

We investigate how the time dependence of the Hamiltonian determines the occurrence of Dynamical Localization (DL) in driven quantum systems with two incommensurate frequencies. If both frequencies are associated to impulsive terms, DL is permanently destroyed. In this case, we show that the evolution is similar to a decoherent case. On the other hand, if both frequencies are associated to smooth driving functions, DL persists although on a time scale longer than in the periodic case. When the driving function consists of a series of pulses of duration $\sigma$, we show that the localization time increases as $\sigma^{-2}$ as the impulsive limit, $\sigma\to 0$, is approached. In the intermediate case, in which only one of the frequencies is associated to an impulsive term in the Hamiltonian, a transition from a localized to a delocalized dynamics takes place at a certain critical value of the strength parameter. We provide an estimate for this critical value, based on analytical considerations. We show how, in all cases, the frequency spectrum of the dynamical response can be used to understand the global features of the motion. All results are numerically checked.Comment: 7 pages, 5 figures included. In this version is that Subsection III.B and Appendix A on the quasiperiodic Fermi Accelerator has been replaced by a reference to published wor

Spatial quantum search in a triangular network

The spatial search problem consists in minimizing the number of steps required to find a given site in a network, under the restriction that only oracle queries or translations to neighboring sites are allowed. We propose a quantum algorithm for the spatial search problem on a triangular lattice with N sites and torus-like boundary conditions. The proposed algortithm is a special case of the general framework for abstract search proposed by Ambainis, Kempe and Rivosh [AKR05] (AKR) and Tulsi [Tulsi08], applied to a triangular network. The AKR-Tulsi formalism was employed to show that the time complexity of the quantum search on the triangular lattice is O(sqrt(N logN)).Comment: 10 pages, 4 Postscript figures, uses sbc-template.sty, appeared in Annals of WECIQ 2010, III Workshop of Quantum Computation and Quantum Informatio

Influence of laser-excited electron distributions on the x-ray magnetic circular dichroism spectra: Implications for femtosecond demagnetization in Ni

In pump-probe experiments an intensive laser pulse creates non-equilibrium excited electron distributions in the first few hundred femtoseconds after the pulse. The influence of non-equilibrium electron distributions caused by a pump laser on the apparent X-ray magnetic circular dichroism (XMCD) signal of Ni is investigated theoretically here for the first time, considering electron distributions immediately after the pulse as well as thermalized ones, that are not in equilibrium with the lattice or spin systems. The XMCD signal is shown not to be simply proportional to the spin momentum in these situations. The computed spectra are compared to recent pump-probe XMCD experiments on Ni. We find that the majority of experimentally observed features considered to be a proof of ultrafast spin momentum transfer to the lattice can alternatively be attributed to non-equilibrium electron distributions. Furthermore, we find the XMCD sum rules for the atomic spin and orbital magnetic moment to remain valid, even for the laser induced non-equilibrium electron distributions.Comment: 6 pages, 3 figure

Mixing Times in Quantum Walks on Two-Dimensional Grids

Mixing properties of discrete-time quantum walks on two-dimensional grids with torus-like boundary conditions are analyzed, focusing on their connection to the complexity of the corresponding abstract search algorithm. In particular, an exact expression for the stationary distribution of the coherent walk over odd-sided lattices is obtained after solving the eigenproblem for the evolution operator for this particular graph. The limiting distribution and mixing time of a quantum walk with a coin operator modified as in the abstract search algorithm are obtained numerically. On the basis of these results, the relation between the mixing time of the modified walk and the running time of the corresponding abstract search algorithm is discussed.Comment: 11 page

First-principles modeling of localized d states with the GW@LDA+U approach

First-principles modeling of systems with localized d states is currently a great challenge in condensed-matter physics. Density-functional theory in the standard local-density approximation (LDA) proves to be problematic. This can be partly overcome by including local Hubbard U corrections (LDA+U) but itinerant states are still treated on the LDA level. Many-body perturbation theory in the GW approach offers both a quasiparticle perspective (appropriate for itinerant states) and an exact treatment of exchange (appropriate for localized states), and is therefore promising for these systems. LDA+U has previously been viewed as an approximate GW scheme. We present here a derivation that is simpler and more general, starting from the static Coulomb-hole and screened exchange approximation to the GW self-energy. Following our previous work for f-electron systems [H. Jiang, R.I. Gomez-Abal, P. Rinke, and M. Scheffler, Phys. Rev. Lett. 102, 126403 (2009)] we conduct a systematic investigation of the GW method based on LDA+U(GW@LDA+U), as implemented in our recently developed all-electron GW code FHI-gap (Green’s function with augmented plane waves) for a series of prototypical d-electron systems: (1) ScN with empty d states, (2) ZnS with semicore d states, and (3) late transition-metal oxides (MnO, FeO, CoO, and NiO) with partially occupied d states. We show that for ZnS and ScN, the GW band gaps only weakly depend on U but for the other transition-metal oxides the dependence on U is as strong as in LDA+U. These different trends can be understood in terms of changes in the hybridization and screening. Our work demonstrates that GW@LDA+U with "physical" values of U provides a balanced and accurate description of both localized and itinerant states

Electronic band structure of zirconia and hafnia polymorphs from the GW perspective

The electronic structure of crystalline ZrO2 and HfO2 in the cubic, tetragonal, and monoclinic phase has been investigated using many-body perturbation theory in the GW approach based on density-functional theory calculations in the local-density approximation (LDA). ZrO2 and HfO2 are found to have very similar quasiparticle band structures. Small differences between them are already well described at the LDA level indicating that the filled f shell in HfO2 has no significant effect on the GW corrections. A comparison with direct and inverse photoemission data shows that the GW density of states agrees very well with experiment. A systematic investigation into the structural and morphological dependence of the electronic structure reveals that the internal displacement of the oxygen atoms in the tetragonal phase has a significant effect on the band gap

Influence of the core-valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors

State-of-the-art theory addresses single-electron excitations in condensed matter by linking density-functional theory (DFT) with many-body perturbation theory. In actual calculations it is common to employ the pseudopotential (PP) approach, where pseudo-wave-functions enter the calculation of the selfenergy, and the core-valence interaction is treated at the DFT level. In this Letter we present accurate all-electron calculations of the self-energy and systematically compare the results to those of PP calculations. The analysis for a range of different materials reveals that both above mentioned approximations are indeed problematic

Asymptotic entanglement in a two-dimensional quantum walk

The evolution operator of a discrete-time quantum walk involves a conditional shift in position space which entangles the coin and position degrees of freedom of the walker. After several steps, the coin-position entanglement (CPE) converges to a well defined value which depends on the initial state. In this work we provide an analytical method which allows for the exact calculation of the asymptotic reduced density operator and the corresponding CPE for a discrete-time quantum walk on a two-dimensional lattice. We use the von Neumann entropy of the reduced density operator as an entanglement measure. The method is applied to the case of a Hadamard walk for which the dependence of the resulting CPE on initial conditions is obtained. Initial states leading to maximum or minimum CPE are identified and the relation between the coin or position entanglement present in the initial state of the walker and the final level of CPE is discussed. The CPE obtained from separable initial states satisfies an additivity property in terms of CPE of the corresponding one-dimensional cases. Non-local initial conditions are also considered and we find that the extreme case of an initial uniform position distribution leads to the largest CPE variation.Comment: Major revision. Improved structure. Theoretical results are now separated from specific examples. Most figures have been replaced by new versions. The paper is now significantly reduced in size: 11 pages, 7 figure

Human Poisoning from Marine Toxins: Unknowns for Optimal Consumer Protection

Marine biotoxins are produced by aquatic microorganisms and accumulate in shellfish or finfish following the food web. These toxins usually reach human consumers by ingestion of contaminated seafood, although other exposure routes like inhalation or contact have also been reported and may cause serious illness. This review shows the current data regarding the symptoms of acute intoxication for several toxin classes, including paralytic toxins, amnesic toxins, ciguatoxins, brevetoxins, tetrodotoxins, diarrheic toxins, azaspiracids and palytoxins. The information available about chronic toxicity and relative potency of different analogs within a toxin class are also reported. The gaps of toxicological knowledge that should be studied to improve human health protection are discussed. In general, gathering of epidemiological data in humans, chronic toxicity studies and exploring relative potency by oral administration are critical to minimize human health risks related to these toxin classes in the near future.Support from the following FEDER cofunded-grants. From Conselleria de Cultura, Educacion e Ordenación Universitaria Xunta de Galicia, 2017 GRC GI-1682 (ED431C 2017/01). From CDTI and Technological Funds, supported by Ministerio de Economía, Industria y Competitividad, AGL2014-58210-R, AGL2016-78728-R (AEI/FEDER, UE), ISCIII/PI16/01830 and RTC-2016-5507-2, ITC-20161072. From European Union POCTEP 0161-Nanoeaters -1-E-1, Interreg AlertoxNet EAPA-317-2016, and H2020 778069-EMERTOX