Theory of inelastic scattering from magnetic impurities

We use the numerical renormalization group method to calculate the single-particle matrix elements T of the many-body T matrix of the conduction electrons scattered by a magnetic impurity at T=0 temperature. Since T determines both the total and the elastic, spin-diagonal scattering cross sections, we are able to compute the full energy, spin, and magnetic field dependence of the inelastic scattering cross section sigma(inel)(omega). We find an almost linear frequency dependence of sigma(inel)(omega) below the Kondo temperature T(K), which crosses over to a omega(2) behavior only at extremely low energies. Our method can be generalized to other quantum impurity models.     

SU(4) Fermi liquid state and spin filtering in a double quantum dot system

We study a symmetrical double quantum dot (DD) system with strong capacitive interdot coupling using renormalization group methods. The dots are attached to separate leads, and there can be a weak tunneling between them. In the regime where there is a single electron on the DD the low-energy behavior is characterized by an SU(4)-symmetric Fermi liquid theory with entangled spin and charge Kondo correlations and a phase shift pi/4. Application of an external magnetic field gives rise to a large magnetoconductance and a crossover to a purely charge Kondo state in the charge sector with SU(2) symmetry. In a four-lead setup we find perfectly spin-polarized transmission.     

Cellular automata for the spreading of technologies in socio-economic systems

We introduce an agent-based model for the spreading of technological developments in socio-economic systems where the technology is mainly used for the collaboration/interaction of agents. Agents use products of different technologies to collaborate with each other which induce costs proportional to the difference of technological levels. Additional costs arise when technologies of different providers are used. Agents can adopt technologies and providers of their interacting partners in order to reduce their costs leading to microscopic rearrangements of the system. Analytical calculations and computer simulations revealed that starting from a random configuration of different technological levels a complex time evolution emerges where the spreading of advanced technologies and the overall technological progress of the system are determined by the amount of advantages more advanced technologies provide, and by the structure of the social environment of agents. We show that agents tend to form clusters of identical technological level with a power law size distribution. When technological progress arises, the spreading of technologies in the system can be described by extreme order statistics.     

Phases of a polar spin-1 Bose gas in a magnetic field

The two Bose–Einstein condensed phases of a polar spin-1 gas at nonzero magnetizations and temperatures are investigated. The Hugenholtz–Pines theorem is generalized to this system. Crossover to a quantum phase transition is also studied. Results are discussed in a mean field approximation.     

A diagonal measure and a local distance matrix to display relations between objects and variables

Proper permutation of data matrix rows and columns may result in plots showing striking information on the objects and variables under investigation. To control the permutation first, a diagonal matrix measure D was defined expressing the size relations of the matrix elements. D is essentially the absolute norm of a matrix where the matrix elements are weighted by their distance to the matrix diagonal. Changing the order of rows and columns increases or decreases D. Monte Carlo technique was used to achieve maximum D in the case of the object distance matrix or even minimal D in the case of the variable correlation matrix to get similar objects or variables close together. Secondly, a local distance matrix was defined, where an element reflects the distances of neighboring objects in a limited subspace of the variables. Due to the maximization of D in the local distance matrix by row and column changes of the original data matrix, the similar objects were arranged close to each other and simultaneously the variables responsible for their similarity were collected close to the diagonal part defined by these objects. This combination of the diagonal measure and the local distance matrix seems to be an efficient tool in the exploration of hidden similarities of a data matrix. Copyright © 2009 John Wiley & Sons, Ltd.     

Theoretical study of the mechanism of valence tautomerism in cobalt complexes

Valence tautomerism is studied in the [Co(II-HS)(sq)(2)(bpy)]/[Co(III-LS)(sq)(cat)(bpy)] mononuclear cobalt complex by using DFT methods (HS, high spin; LS, low spin; cat, catecholate; sq, semiquinone; bpy, 2,2'-bipyridine). Calculations at the B3LYP* level of theory reproduce well the energy gap between the Co(II-HS) and Co(III-LS) forms giving an energy gap of 4.4 kcal/mol, which is comparable to the experimental value of 8.9 kcal/mol. Potential energy surfaces and crossing seams of the electronic states of the doublet, quartet, and sextet spin states are calculated along minimum energy paths connecting the energy minima corresponding to the different spin states. The calculated minimum energy crossing points (MECPs) are located at 8.8 kcal/mol in the doublet/sextet surfaces, at 10.2 kcal/mol in the doublet/quartet surfaces, and at 8.4 kcal/mol in the quartet/sextet surfaces relative to the doublet ground state. Considering the energy of the three spin states and the crossing points, the one-step relaxation mechanism between the Co(II-HS) and Co(III-LS) forms is the most probable. This research shows that mapping MECPs can be a useful strategy to analyze the potential energy surfaces of systems with complex deformation modes.     

Crossover from adiabatic to sudden interaction quench in a Luttinger liquid

Motivated by recent experiments on interacting cold atoms, we analyze interaction quenches in Luttinger liquids (LLs), where the interaction is ramped from zero to a finite value within a finite time. The fermionic single particle density matrix reveals several regions of spatial and temporal coordinates relative to the quench time, termed as Fermi liquid, sudden quench LL, adiabatic LL regime, and a LL regime with a time-dependent exponent. The various regimes can also be observed in the momentum distribution of the fermions, directly accessible through time of flight experiments. Most of our results apply to arbitrary quench protocols.