Unusual Kondo physics in a Co impurity atom embedded in noble-metal chains

We analyze the conduction bands of the one dimensional noble-metal chains that contain a Co magnetic impurity by means of ab initio calculations. We compare the results obtained for Cu and Ag pure chains, as well as O doped Cu, Ag and Au chains with those previously found for Au pure chains. We find similar results in the case of Cu and Au hosts, whereas for Ag chains a different behavior is obtained. Differences and similarities among the different systems are analyzed by comparing the electronic structure of the three noble-metal hosts. The d-orbitals of Cu chains at the Fermi level have the same symmetry as in the case of Au chains. These orbitals hybridize with the corresponding ones of the Co impurity, giving rise to the possibility of exhibiting a two-channel Kondo physics.Comment: Accepted in IEEE Trans. Magn. - April 201

Universal transport signatures in two-electron molecular quantum dots: gate-tunable Hund's rule, underscreened Kondo effect and quantum phase transitions

We review here some universal aspects of the physics of two-electron molecular transistors in the absence of strong spin-orbit effects. Several recent quantum dots experiments have shown that an electrostatic backgate could be used to control the energy dispersion of magnetic levels. We discuss how the generically asymmetric coupling of the metallic contacts to two different molecular orbitals can indeed lead to a gate-tunable Hund's rule in the presence of singlet and triplet states in the quantum dot. For gate voltages such that the singlet constitutes the (non-magnetic) ground state, one generally observes a suppression of low voltage transport, which can yet be restored in the form of enhanced cotunneling features at finite bias. More interestingly, when the gate voltage is controlled to obtain the triplet configuration, spin S=1 Kondo anomalies appear at zero-bias, with non-Fermi liquid features related to the underscreening of a spin larger than 1/2. Finally, the small bare singlet-triplet splitting in our device allows to fine-tune with the gate between these two magnetic configurations, leading to an unscreening quantum phase transition. This transition occurs between the non-magnetic singlet phase, where a two-stage Kondo effect occurs, and the triplet phase, where the partially compensated (underscreened) moment is akin to a magnetically "ordered" state. These observations are put theoretically into a consistent global picture by using new Numerical Renormalization Group simulations, taylored to capture sharp finie-voltage cotunneling features within the Coulomb diamonds, together with complementary out-of-equilibrium diagrammatic calculations on the two-orbital Anderson model. This work should shed further light on the complicated puzzle still raised by multi-orbital extensions of the classic Kondo problem.Comment: Review article. 16 pages, 17 figures. Minor corrections and extra references added in V

Orbit bifurcations and the scarring of wavefunctions

We extend the semiclassical theory of scarring of quantum eigenfunctions psi_{n}(q) by classical periodic orbits to include situations where these orbits undergo generic bifurcations. It is shown that |psi_{n}(q)|^{2}, averaged locally with respect to position q and the energy spectrum E_{n}, has structure around bifurcating periodic orbits with an amplitude and length-scale whose hbar-dependence is determined by the bifurcation in question. Specifically, the amplitude scales as hbar^{alpha} and the length-scale as hbar^{w}, and values of the scar exponents, alpha and w, are computed for a variety of generic bifurcations. In each case, the scars are semiclassically wider than those associated with isolated and unstable periodic orbits; moreover, their amplitude is at least as large, and in most cases larger. In this sense, bifurcations may be said to give rise to superscars. The competition between the contributions from different bifurcations to determine the moments of the averaged eigenfunction amplitude is analysed. We argue that there is a resulting universal hbar-scaling in the semiclassical asymptotics of these moments for irregular states in systems with a mixed phase-space dynamics. Finally, a number of these predictions are illustrated by numerical computations for a family of perturbed cat maps.Comment: 24 pages, 6 Postscript figures, corrected some typo

Photoinduced charge transport over branched conjugation pathways: donor–acceptor substituted 1,1-diphenylethene and 2,3-diphenylbutadiene

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence (http://creativecommons.org/licenses/by-nc/3.0/)Photoinduced charge transport in 1,1-diphenylethene and 2,3-diphenylbutadiene functionalized with an electron donating dimethylamino group and an electron accepting cyano group is reported. UV-spectroscopy reveals that in these compounds, which incorporate a cross-conjugated spacer, a direct charge transfer transition is possible. It is shown by application of the generalized Mulliken–Hush approach that introduction of an additional branching point in the π-electron spacer (i.e., when going from the 1,1-diphenylethene to the 2,3-diphenylbutadiene) leads to only a moderate reduction (68–92%) of the electronic coupling between the ground and the charge separated state. The σ-electron system is however likely to be dominant in the photoinduced charge separation process

Dft And X-ray Study Of Structural, Electronic, Elastic And Optical Properties In Be1–xznxs Alloys Depending On Vegard’s Law

Structural, optical and electronic properties and elastic constants of Be1–xZnxS alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement

Conductance Quantization at zero magnetic field in InSb nanowires

Ballistic electron transport is a key requirement for existence of a topological phase transition in proximitized InSb nanowires. However, measurements of quantized conductance as direct evidence of ballistic transport have so far been obscured due to the increased chance of backscattering in one dimensional nanowires. We show that by improving the nanowire-metal interface as well as the dielectric environment we can consistently achieve conductance quantization at zero magnetic field. Additionally, studying the sub-band evolution in a rotating magnetic field reveals an orbital degeneracy between the second and third sub-bands for perpendicular fields above 1T

Expressiveness modulo Bisimilarity of Regular Expressions with Parallel Composition (Extended Abstract)

The languages accepted by finite automata are precisely the languages denoted by regular expressions. In contrast, finite automata may exhibit behaviours that cannot be described by regular expressions up to bisimilarity. In this paper, we consider extensions of the theory of regular expressions with various forms of parallel composition and study the effect on expressiveness. First we prove that adding pure interleaving to the theory of regular expressions strictly increases its expressiveness up to bisimilarity. Then, we prove that replacing the operation for pure interleaving by ACP-style parallel composition gives a further increase in expressiveness. Finally, we prove that the theory of regular expressions with ACP-style parallel composition and encapsulation is expressive enough to express all finite automata up to bisimilarity. Our results extend the expressiveness results obtained by Bergstra, Bethke and Ponse for process algebras with (the binary variant of) Kleene's star operation.Comment: In Proceedings EXPRESS'10, arXiv:1011.601