Search results for "Topological quantum number"
showing 10 items of 34 documents
Trochoidal motion and pair generation in skyrmion and antiskyrmion dynamics under spin-orbit torques
2018
Magnetic skyrmions are swirling magnetic spin structures that could be used to build next-generation memory and logic devices. They can be characterized by a topological charge that describes how the spin winds around the core. The dynamics of skyrmions and antiskyrmions, which have opposite topological charges, are typically described by assuming a rigid core. However, this reduces the set of variables that describe skyrmion motion. Here we theoretically explore the dynamics of skyrmions and antiskyrmions in ultrathin ferromagnetic films and show that current-induced spin–orbit torques can lead to trochoidal motion and skyrmion–antiskyrmion pair generation, which occurs only for either the…
Improving the local vertex invariants in alkane graphs through a standard molecular orbital approach
2007
Abstract In this work, novel topological indices are introduced by the application of algorithms based on molecular orbital theory. Actually, the novel indices are obtained by computing new values of the local vertex invariants (LOVIs) in alkane graphs. The most significant result is the dramatic increase in the predictive capability achieved with the topological charge indices weighted according the new LOVIs’ values in the prediction of four key properties in the set of octane isomers, namely heat of atomization, molar refraction, heat of vaporization and boiling point.
Getting discriminant functions of antibacterial activity from physicochemical and topological parameters.
2001
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
On a topological interpretation of electronic and vibrational molecular energies
1998
Abstract A relationship between Randic's connectivity index and various quantum mechanical parameters derived from the Huckel Molecular Orbital (HMO) approach is demonstrated. When applied to conjugated hydrocarbons, this index represents the measure of the global π electron molecular energy and, therefore, of the resonance energy. Moreover, the development of the procedure, allows the introduction of a new definition of the bond order which, in turn, makes possible a better prediction not only for bond lengths of naphtalene but also for the resonance integral and conjugation energy for butadiene. Also, a corrected value for the Randic index is deduced, which allows for the reduction of the…
ChemInform Abstract: Getting Discriminant Functions of Antibacterial Activity from Physicochemical and Topological Parameters.
2010
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
Devil’s vortex-lenses
2009
In this paper we present a new kind of vortex lenses in which the radial phase distribution is characterized by the "devil's staircase" function. The focusing properties of these fractal DOEs coined Devil's vortex-lenses are analytically studied and the influence of the topological charge is investigated. It is shown that under monochromatic illumination a vortex devil's lens give rise a focal volume containing a delimited chain of vortices that are axially distributed according to the self-similarity of the lens.
Some topological properties of the Inverse Lens Mapping
2011
Away from critical curves, lens mapping can be seen as a linear invertible transformation of the plane even for regions (cells) of relatively large size. However, close to critical curves the departures from linearity can be very strong. We discuss the topological problems induced by the mapping of regions of the image plane that include critical curves (critical cells).
A new lattice action for studying topological charge
1996
We propose a new lattice action for non-abelian gauge theories, which will reduce short-range lattice artifacts in the computation of the topological susceptibility. The standard Wilson action is replaced by the Wilson action of a gauge covariant interpolation of the original fields to a finer lattice. If the latter is fine enough, the action of all configurations with non-zero topological charge will satisfy the continuum bound. As a simpler example we consider the $O(3)$ $\sigma$-model in two dimensions, where a numerical analysis of discretized continuum instantons indicates that a finer lattice with half the lattice spacing of the original is enough to satisfy the continuum bound.
Topological electronic structure and Weyl points in nonsymmorphic hexagonal materials
2020
Using topological band theory analysis we show that the nonsymmorphic symmetry operations in hexagonal lattices enforce Weyl points at the screw-invariant high-symmetry lines of the band structure. The corepresentation theory and connectivity group theory show that Weyl points are generated by band crossings in accordion-like and hourglass-like dispersion relations. These Weyl points are stable against weak perturbations and are protected by the screw rotation symmetry. Based on first-principles calculations we found a complete agreement between the topological predicted energy dispersion relations and real hexagonal materials. Topological charge (chirality) and Berry curvature calculations…
Signatures of topological phase transitions in Josephson current-phase discontinuities
2016
Topological superconductors differ from topologically trivial ones for the presence of topologically protected zero-energy modes. To date, experimental evidence of topological superconductivity in nanostructures has been mainly obtained by measuring the zero-bias conductance peak via tunneling spectroscopy. Here, we propose an alternative and complementary experimental recipe to detect topological phase transitions in these systems. We show in fact that, for a finite-sized system with broken time-reversal symmetry, discontinuities in the Josephson current-phase relation correspond to the presence of zero-energy modes and to a change in the fermion parity of the groundstate. Such discontinui…