arXiv subjects

Clas Persson

Publications and source records attributed to Clas Persson.

44 records · Page 3Linked to original sources

arXiv2014

Lithium atom storage in nanoporous cellulose via surface induced $\rm Li_2$ breakage

We demonstrate a physical mechanism that enhances a splitting of diatomic $\rm Li_2$ at cellulose surfaces. The origin of this splitting is a possible surface induced diatomic excited state resonance repulsion. The atomic Li is then free to form either physical or chemical bonds with the cellulose surface and even diffuse into the cellulose layer structure. This allows for an enhanced storage capacity of atomic Li in nanoporous cellulose

cond-mat.mes-hall↗

arXiv2013

Information Exchange via Surface Modified Resonance Energy Transfer

The theory is presented for resonance interaction between two atoms in an excited configuration: one atom, the "receptor" of information (i.e. energy), adsorbed on a phospholipid surface and the other atom, the "emitter" of information (i.e. energy), a long distance away. The dielectric function for a specific phospholipid membrane is obtained from density functional theory calculations. We present numerical results comparing the range and magnitude of non-specific Casimir-Polder interactions with the much more long-ranged, and highly specific, resonance interaction. A study of the resonance interaction with one or both atoms adsorbed on a phospholipid membrane surface reveals a possibility to have a cross over from attraction to repulsion or from repulsion to attraction at separations between receptor and emitter atoms exceeding several hundred Ångströms. The energy transfer and the observed transitions in the sign of the interaction energies near surfaces provide potential new ways to start recognition processes in biological systems.

quant-ph↗

arXiv2013

Resonance Interaction Induced by Metal Surfaces Catalyses Atom Pair Breakage

We present the theory for retarded resonance interaction between two identical atoms at arbitrary positions near a metal surface. The dipole-dipole resonance interaction force that binds isotropically excited atom pairs together in free space may turn repulsive close to an ideal (totally reflecting) metal surface. On the other hand, close to an infinitely permeable surface it may turn more attractive. We illustrate numerically how the dipole-dipole resonance interaction between two oxygen atoms near a metal surface may provide a repulsive energy of the same order of magnitude as the ground-state binding energy of an oxygen molecule. As a complement we also present results from density-functional theory.

cond-mat.mtrl-sci↗

arXiv2012

Enlarged Molecules from Excited Atoms in Nanochannels

The resonance interaction that takes place in planar nanochannels between pairs of excited state atoms is explored. We consider interactions in channels of silica, zinc oxide and gold. The nanosized channels induce a dramatically different interaction from that in free space. Illustrative calculations for two lithium and cesium atoms, demonstrate that there is a short range repulsion followed by long range attraction. The binding energy is strongest near the surfaces. The size of the enlarged molecule is biggest at the center of the cavity and increases with channel width. Since the interaction is generic, we predict that enlarged molecules are formed in porous structures, and that the molecule size depends on the size of the nanochannels

physics.atom-ph↗

arXiv2012

Ultrathin Metallic Coatings Can Induce Quantum Levitation between Nanosurfaces

There is an attractive Casimir-Lifshitz force between two silica surfaces in a liquid (bromobenze or toluene). We demonstrate that adding an ultrathin (5-50Å) metallic nanocoating to one of the surfaces results in repulsive Casimir-Lifshitz forces above a critical separation. The onset of such quantum levitation comes at decreasing separations as the film thickness decreases. Remarkably the effect of retardation can turn attraction into repulsion. From that we explain how an ultrathin metallic coating may prevent nanoelectromechanical systems from crashing together.

quant-ph↗

arXiv2012

Casimir-Lifshitz interaction between ZnO and SiO2 nanorods in bromobenzene: retardation effects turn the interaction repulsive at intermediate separations

We consider the interaction between a ZnO nanorod and a SiO2 nanorod in bromobenzene. Using optical data for the interacting objects and ambient we calculate the force - from short-range attractive van der Waals force to intermediate range repulsive Casimir-Lifshitz force to long range entropically driven attraction. The nonretarded van der Waals interaction is attractive at all separations. We demonstrate a retardation driven repulsion at intermediate separations. At short separations (in the nonretarded limit) and at large separations (in the classical limit) the interaction is attractive. These effects can be understood from an analysis of multiple crossings of the dielectric functions of the three media as functions of imaginary frequencies.

quant-ph↗

arXiv2009

Trends in Ferromagnetism in Mn doped dilute III-V alloys from a density functional perspective

Mn doping in dilute III-V alloys has been examined as a route to enhance ferromagnetic stability. Strong valence band bowing is expected at the dilute limit, implying a strong modification of the ferromagnetic stability upon alloying, with even an increase in some cases. Using first principle electronic structure calculations we show that while codoping with a group V anion enhances the ferromagnetic stability in some cases when the effects of relaxation of the lattice are not considered, strong impurity scattering in the relaxed structure result in a reduction of the ferromagnetic stability.

cond-mat.mtrl-sci↗

arXiv2007

Role of semi core levels in determining the band-gaps of semiconductors: First-principles calculations with model Hamiltonians

First principle calculations based on LDA/GGA approximation for the exchange functional underestimate the position of the semi core 3d levels in GaX (X = N, P and As) semiconductors. A self-interaction correction scheme within the LDA+U/GGA+U approximation is found to be sufficient to correct this discrepancy. A consequence of thiscorrection is that the bandgap (E_g) of the semiconductors also improves. The belief has been that the bandgap correction comes from modified semi core-valence interaction. We examine this often used approximation in great detail and find that although bandgap changes as large as 0.63 eV for GaAs, 0.42 eV for GaP and 0.46 eV for GaN are obtained within this approach for U= 20 eV on the Ga d states, only 0.1 eV, 0.1 eV and 0.15 eV for GaAs, GaP and GaN arise from semi core-valence interaction. As U is increased, the bandgap keeps improving. We trace this effect primarily to the interaction of the Ga 4d states in the conduction band with the anion p states.

cond-mat.mtrl-sci↗