Search results for "electrons"
showing 10 items of 1325 documents
The composite operator method route to the 2D Hubbard model and the cuprates
2018
In this review paper, we illustrate a possible route to obtain a reliable solution of the 2D Hubbard model and an explanation for some of the unconventional behaviours of underdoped high-$T_\text{c}$ cuprate superconductors within the framework of the composite operator method. The latter is described exhaustively in its fundamental philosophy, various ingredients and robust machinery to clarify the reasons behind its successful applications to many diverse strongly correlated systems, controversial phenomenologies and puzzling materials.
Biomimetic oxidation of pyrene and related aromatic hydrocarbons. Unexpected electron accepting abilities of pyrenequinones
2014
We present a mild catalytic method to oxidize PAHs and, in particular, pyrene. The pyrenediones are much better electron acceptors than benzoquinone in the gas phase and present similar accepting abilities in solution.
Asymmetries in the momentum distributions of electrons stripped by a XUV chirped pulse in the presence of a laser field
2012
The ionization of hydrogen by a chirped XUV pulse in the presence of a few cycle infrared laser pulse has been investigated. The electron momentum distribution has been obtained by treating the interaction of the atom with the XUV radiation at the first order of the time-dependent perturbation theory and describing the emitted electron through the Coulomb-Volkov wavefunction. The results of the calculations agree with the ones found by solving numerically the time-dependent Schr¨odinger equation. It has been found that depending on the delay between the pulses the combined effect of the XUV chirp and of the steering action on the infrared field brings about asymmetries in the electron momen…
How Circular Dichroism in Time- and Angle-Resolved Photoemission Can Be Used to Spectroscopically Detect Transient Topological States in Graphene
2020
Pumping graphene with circularly polarized light is the archetype of light-tailoring topological bands. Realizing the induced Floquet-Chern-insulator state and demonstrating clear experimental evidence for its topological nature has been a challenge, and it has become clear that scattering effects play a crucial role. We tackle this gap between theory and experiment by employing microscopic quantum kinetic calculations including realistic electron-electron and electron-phonon scattering. Our theory provides a direct link to the build up of the Floquet-Chern-insulator state in light-driven graphene and its detection in time- and angle-resolved photoemission spectroscopy (ARPES). This approac…
Calibration of denitrifying activity of polyphosphate accumulating organisms in an extended ASM2d model
2010
Abstract This paper presents the results of an experimental study for the modelling and calibration of denitrifying activity of polyphosphate accumulating organisms (PAOs) in full-scale WWTPs that incorporate simultaneous nitrogen and phosphorus removal. The convenience of using different yields under aerobic and anoxic conditions for modelling biological phosphorus removal processes with the ASM2d has been demonstrated. Thus, parameter ηPAO in the model is given a physical meaning and represents the fraction of PAOs that are able to follow the DPAO metabolism. Using stoichiometric relationships, which are based on assumed biochemical pathways, the anoxic yields considered in the extended A…
Magnetic phase diagram of La2−xSrxCoO4 revised using muon-spin relaxation
2016
We report the results of a muon-spin relaxation (mu SR) investigation of La2-xSrxCoO4, an antiferromagnetic insulating series which has been shown to support charge ordered and magnetic stripe phases and an hourglass magnetic excitation spectrum. We present a revised magnetic phase diagram, which shows that the suppression of the magnetic ordering temperature is highly sensitive to small concentrations of holes. Distinct behavior within an intermediate x range (0.2 <= x less than or similar to 0.6) suggests that the putative stripe ordered phase extends to lower x than previously thought. Further charge doping (0.67 <= x <= 0.9) prevents magnetic ordering for T greater than or similar to 1.…
The spin-1/2 Kagome XXZ model in a field: competition between lattice nematic and solid orders
2016
We study numerically the spin-1/2 XXZ model in a field on an infinite Kagome lattice. We use different algorithms based on infinite Projected Entangled Pair States (iPEPS) for this, namely: (i) with simplex tensors and 9-site unit cell, and (ii) coarse-graining three spins in the Kagome lattice and mapping it to a square-lattice model with nearest-neighbor interactions, with usual PEPS tensors, 6- and 12-site unit cells. Similarly to our previous calculation at the SU(2)-symmetric point (Heisenberg Hamiltonian), for any anisotropy from the Ising limit to the XY limit, we also observe the emergence of magnetization plateaus as a function of the magnetic field, at $m_z = \frac{1}{3}$ using 6-…
Cross-sublattice Spin Pumping and Magnon Level Attraction in van der Waals Antiferromagnets
2020
We theoretically study spin pumping from a layered van der Waals antiferromagnet in its canted ground state into an adjacent normal metal. We find that the resulting dc spin pumping current bears contributions along all spin directions. Our analysis allows for detecting intra- and cross-sublattice spin-mixing conductances via measuring the two in-plane spin current components. We further show that sublattice symmetry-breaking Gilbert damping can be realized via interface engineering and induces a dissipative coupling between the optical and acoustic magnon modes. This realizes magnon level attraction and exceptional points in the system. Furthermore, the dissipative coupling and cross-subla…
Towards nonlocal density functionals by explicit modelling of the exchange-correlation hole in inhomogeneous systems
2013
We put forward new approach for the development of a non-local density functional by a direct modeling of the shape of exchange-correlation (xc) hole in inhomogeneous systems. The functional is aimed at giving an accurate xc-energy and an accurate corresponding xc-potential even in difficult near-degeneracy situations such as molecular bond breaking. In particular we demand that: (1) the xc hole properly contains -1 electron, (2) the xc-potential has the asymptotic -1/r behavior outside finite systems and (3) the xc-potential has the correct step structure related to the derivative discontinuities of the xc-energy functional. None of the currently existing functionals satisfies all these re…
Orbital Rotations induced by Charges of Polarons and Defects in Doped Vanadates
2020
We explore the competiton of doped holes and defects that leads to the loss of orbital order in vanadate perovskites. In compounds such as La$_{1-{\sf x}}$Ca$_{\,\sf x}$VO$_3$ spin and orbital order result from super-exchange interactions described by an extended three-orbital degenerate Hubbard-Hund model for the vanadium $t_{2g}$ electrons. Long-range Coulomb potentials of charged Ca$^{2+}$ defects and $e$-$e$ interactions control the emergence of defect states inside the Mott gap. The quadrupolar components of the Coulomb fields of doped holes induce anisotropic orbital rotations of degenerate orbitals. These rotations modify the spin-orbital polaron clouds and compete with orbital rotat…