Antiferromagnetic spin chain behavior and a transition to 3D magnetic order in Cu(D,L-alanine)2: Roles of H-bonds

We study the spin chain behavior, a transition to 3D magnetic order and the magnitudes of the exchange interactions for the metal-amino acid complex Cu(D,L-alanine)2.H2O, a model compound to investigate exchange couplings supported by chemical paths characteristic of biomolecules. Thermal and magnetic data were obtained as a function of temperature (T) and magnetic field (B0). The magnetic contribution to the specific heat, measured between 0.48 and 30 K, displays above 1.8 K a 1D spin-chain behavior that can be fitted with an intrachain antiferromagnetic (AFM) exchange coupling constant 2J0 = (-2.12 $\pm$ 0.08) cm$^{-1}$, between neighbor coppers at 4.49 {\AA} along chains connected by non-covalent and H-bonds. We also observe a narrow specific heat peak at 0.89 K indicating a phase transition to a 3D magnetically ordered phase. Magnetization curves at fixed T = 2, 4 and 7 K with B0 between 0 and 9 T, and at T between 2 and 300 K with several fixed values of B0 were globally fitted by an intrachain AFM exchange coupling constant 2J0 = (-2.27 $\pm$ 0.02) cm$^{-1}$ and g = 2.091 $\pm$ 0.005. Interchain interactions J1 between coppers in neighbor chains connected through long chemical paths with total length of 9.51 {\AA} are estimated within the range 0.1 < |2J1| < 0.4 cm$^{-1}$, covering the predictions of various approximations. We analyze the magnitudes of 2J0 and 2J1 in terms of the structure of the corresponding chemical paths. The main contribution in supporting the intrachain interaction is assigned to H-bonds while the interchain interactions are supported by paths containing H-bonds and carboxylate bridges, with the role of the H-bonds being predominant. We compare the obtained intrachain coupling with studies of compounds showing similar behavior and discuss the validity of the approximations allowing to calculate the interchain interactions.Comment: 10 pages, 4 figure

Enhancing single-parameter quantum charge pumping in carbon-based devices

We present a theoretical study of quantum charge pumping with a single ac gate applied to graphene nanoribbons and carbon nanotubes operating with low resistance contacts. By combining Floquet theory with Green's function formalism, we show that the pumped current can be tuned and enhanced by up to two orders of magnitude by an appropriate choice of device length, gate voltage intensity and driving frequency and amplitude. These results offer a promising alternative for enhancing the pumped currents in these carbon-based devices.Comment: 3.5 pages, 2 figure

Phase changes in 38 atom Lennard-Jones clusters. II: A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical

We study the 38-atom Lennard-Jones cluster with parallel tempering Monte Carlo methods in the microcanonical and molecular dynamics ensembles. A new Monte Carlo algorithm is presented that samples rigorously the molecular dynamics ensemble for a system at constant total energy, linear and angular momenta. By combining the parallel tempering technique with molecular dynamics methods, we develop a hybrid method to overcome quasi-ergodicity and to extract both equilibrium and dynamical properties from Monte Carlo and molecular dynamics simulations. Several thermodynamic, structural and dynamical properties are investigated for LJ$_{38}$, including the caloric curve, the diffusion constant and the largest Lyapunov exponent. The importance of insuring ergodicity in molecular dynamics simulations is illustrated by comparing the results of ergodic simulations with earlier molecular dynamics simulations.Comment: Journal of Chemical Physics, accepte

Manipulation of single-photon states encoded in transverse spatial modes: possible and impossible tasks

Controlled generation and manipulation of photon states encoded in their spatial degrees of freedom is a crucial ingredient in many quantum information tasks exploiting higher-than-two dimensional encoding. Here, we prove the impossibility to arbitrarily modify $d$-level state superpositions (qu$d$its) for $d>2$, encoded in the transverse modes of light, with optical components associated to the group of symplectic transforms (Gaussian operations). Surprisingly, we also provide an explicit construction of how non-Gaussian operations acting on mode subspaces do enable to overcome the limit $d=2$. In addition, this set of operations realizes the full SU(3) algebra.Comment: Published in PR

Floquet interface states in illuminated three-dimensional topological insulators

Recent experiments showed that the surface of a three dimensional topological insulator develops gaps in the Floquet-Bloch band spectrum when illuminated with a circularly polarized laser. These Floquet-Bloch bands are characterized by non-trivial Chern numbers which only depend on the helicity of the polarization of the radiation field. Here we propose a setup consisting of a pair of counter-rotating lasers, and show that one-dimensional chiral states emerge at the interface between the two lasers. These interface states turn out to be spin-polarized and may trigger interesting applications in the field of optoelectronics and spintronics.Comment: 5 pages with 3 figures + supplemental materia

Laser-induced effects on the electronic features of graphene nanoribbons

We study the interplay between lateral confinement and photon-induced processes on the electronic properties of illuminated graphene nanoribbons. We find that by tuning the device setup (edges geometries, ribbon width and polarization direction), a laser with frequency {\Omega} may either not affect the electronic structure, or induce bandgaps or depletions at \hbar {\Omega}/2, and/or at other energies not commensurate with half the photon energy. Similar features are also observed in the dc conductance, suggesting the use of the polarization direction to switch on and off the graphene device. Our results could guide the design of novel types of optoelectronic nano-devices.Comment: 4 pages, 3 figure

Measuring two-photon orbital angular momentum entanglement

We put forward an approach to estimate the amount of bipartite spatial entanglement of down-converted photon states correlated in orbital angular momentum and the magnitude of the transverse (radial) wave vectors. Both degrees of freedom are properly considered in our framework, which only requires azimuthal local linear optical transformations and mode selection analysis with two fiber detectors. The coincidence distributions predicted by our approach give an excellent fit to the distributions measured in a recent experiment aimed to show the very high-dimensional transverse entanglement of twin photons from a down-conversion source. Our estimate for the Schmidt number is substantially lower but still confirms the presence of high-dimensional entanglement.Comment: Extended paper of a published version in PRA, with some extra appendice

Tuning laser-induced bandgaps in graphene

Could a laser field lead to the much sought-after tunable bandgaps in graphene? By using Floquet theory combined with Green's functions techniques, we predict that a laser field in the mid-infrared range can produce observable bandgaps in the electronic structure of graphene. Furthermore, we show how they can be tuned by using the laser polarization. Our results could serve as a guidance to design opto-electronic nano-devices.Comment: 4 pages, 3 figures, to appear in Applied Physics Letter