Structure and electronic properties of molybdenum monoatomic wires encapsulated in carbon nanotubes

Monoatomic chains of molybdenum encapsulated in single walled carbon nanotubes of different chiralities are investigated using density functional theory. We determine the optimal size of the carbon nanotube for encapsulating a single atomic wire, as well as the most stable atomic arrangement adopted by the wire. We also study the transport properties in the ballistic regime by computing the transmission coefficients and tracing them back to electronic conduction channels of the wire and the host. We predict that carbon nanotubes of appropriate radii encapsulating a Mo wire have metallic behavior, even if both the nanotube and the wire are insulators. Therefore, encapsulating Mo wires in CNT is a way to create conductive quasi one-dimensional hybrid nanostructures.Comment: 8 pages, 10 figure

Impact of dimerization and stretching on the transport properties of molybdenum atomic wires

We study the electrical and transport properties of monoatomic Mo wires with different structural characteristics. We consider first periodic wires with inter-atomic distances ranging between the dimerized wire to that formed by equidistant atoms. We find that the dimerized case has a gap in the electronic structure which makes it insulating, as opposed to the equidistant or near-equidistant cases which are metallic. We also simulate two conducting one-dimensional Mo electrodes separated by a scattering region which contains a number of dimers between 1 and 6. The $I-V$ characteristics strongly depend on the number of dimers and vary from ohmic to tunneling, with the presence of different gaps. We also find that stretched chains are ferromagnetic.Comment: 8 pages, 7 figure

Non-equilibrium transport response from equilibrium transport theory

We propose a simple scheme that describes accurately essential non-equilibrium effects in nanoscale electronics devices using equilibrium transport theory. The scheme, which is based on the alignment and dealignment of the junction molecular orbitals with the shifted Fermi levels of the electrodes, simplifies drastically the calculation of current-voltage characteristics compared to typical non-equilibrium algorithms. We probe that the scheme captures a number of non-trivial transport phenomena such as the negative differential resistance and rectification effects. It applies to those atomic-scale junctions whose relevant states for transport are spatially placed on the contact atoms or near the electrodes.Comment: 5 pages, 4 figures. Accepted in Physical Review

A model for conservative chaos constructed from multi-component Bose-Einstein condensates with a trap in 2 dimensions

To show a mechanism leading to the breakdown of a particle picture for the multi-component Bose-Einstein condensates(BECs) with a harmonic trap in high dimensions, we investigate the corresponding 2-$d$ nonlinear Schr{\"o}dinger equation (Gross-Pitaevskii equation) with use of a modified variational principle. A molecule of two identical Gaussian wavepackets has two degrees of freedom(DFs), the separation of center-of-masses and the wavepacket width. Without the inter-component interaction(ICI) these DFs show independent regular oscillations with the degenerate eigen-frequencies. The inclusion of ICI strongly mixes these DFs, generating a fat mode that breaks a particle picture, which however can be recovered by introducing a time-periodic ICI with zero average. In case of the molecule of three wavepackets for a three-component BEC, the increase of amplitude of ICI yields a transition from regular to chaotic oscillations in the wavepacket breathing.Comment: 5 pages, 4 figure

Structural instability of vortices in Bose-Einstein condensates

In this paper we study a gaseous Bose-Einstein condensate (BEC) and show that: (i) A minimum value of the interaction is needed for the existence of stable persistent currents. (ii) Vorticity is not a fundamental invariant of the system, as there exists a conservative mechanism which can destroy a vortex and change its sign. (iii) This mechanism is suppressed by strong interactions.Comment: 4 pages with 3 figures. Submitted to Phys. Rev. Let

Impact of Fano and Breit-Wigner resonances in the thermoelectric properties of nanoscale junctions

We show that the thermoelectric properties of nanoscale junctions featuring states near the Fermi level strongly depend on the type of resonance generated by such states, which can be either Fano or Breit-Wigner-like. We give general expressions for the thermoelectric coefficients generated by the two types of resonances and calculate the thermoelectric properties of these systems, which encompass most nanoelectronics junctions. We include simulations of real junctions where metalloporphyrin molecules bridge gold electrodes and prove that for some metallic elements the thermoelectric properties show a large variability. We find that the thermopower and figure of merit are largely enhanced when the resonance gets close to the Fermi level and reach values much higher than typical values found in other nanoscale junctions. The specific value and temperature dependence are determined by a series of factors such as the strength of the coupling between the state and other molecular states, the symmetry of the state, the strength of the coupling between the molecule and the leads and the spin filtering behavior of the junction.Comment: 9 pages, 11 figure

Intensity of physical education classes in adolescents

Se registró la frecuencia cardiaca de 182 estudiantes (97 chicos y 85 chicas) de entre 12 y 18 años durante sus clases de Educación Física. Los resultados muestran una media del 21,62±14,33% del tiempo de clase en valores MVPA (moderate to vigorous physical activity). Respecto al género, pese a no ser significativo, los mayores valores corresponden a la chicas (23,47±14,45% vs 19,99±14,10%; p=0,106). No se ha observado efecto del tipo de sesión (deportes colectivos, deportes individuales, juegos tradicionales o bailes) sobre el tiempo en valores MVPA (p>0,05; TE0.05; ES<0.020), obtaining the highest values in team sports sessions. Results show that intensity and duration of analyzed classes do not comply with recommendations to become an adequate cardiovascular exercis

Is it possible to observe experimentally a metal-insulator transition in ultra cold atoms?

Kicked rotors with certain non-analytic potentials avoid dynamical localization and undergo a metal-insulator transition. We show that typical properties of this transition are still present as the non-analyticity is progressively smoothed out provided that the smoothing is less than a certain limiting value. We have identified a smoothing dependent time scale such that full dynamical localization is absent and the quantum momentum distribution develops power-law tails with anomalous decay exponents as in the case of a conductor at the metal-insulator transition. We discuss under what conditions these findings may be verified experimentally by using ultra cold atoms techniques. It is found that ultra-cold atoms can indeed be utilized for the experimental investigation of the metal-insulator transition.Comment: 7 pages, 3 figure