Quasiparticles governing the zero-temperature dynamics of the 1D spin-1/2 Heisenberg antiferromagnet in a magnetic field

The T=0 dynamical properties of the one-dimensional (1D) $s=1/2$ Heisenberg antiferromagnet in a uniform magnetic field are studied via Bethe ansatz for cyclic chains of $N$ sites. The ground state at magnetization $0<M_z<N/2$, which can be interpreted as a state with $2M_z$ spinons or as a state of $M_z$ magnons, is reconfigured here as the vacuum for a different species of quasiparticles, the {\em psinons} and {\em antipsinons}. We investigate three kinds of quantum fluctuations, namely the spin fluctuations parallel and perpendicular to the direction of the applied magnetic field and the dimer fluctuations. The dynamically dominant excitation spectra are found to be sets of collective excitations composed of two quasiparticles excited from the psinon vacuum in different configurations. The Bethe ansatz provides a framework for (i) the characterization of the new quasiparticles in relation to the more familiar spinons and magnons, (ii) the calculation of spectral boundaries and densities of states for each continuum, (iii) the calculation of transition rates between the ground state and the dynamically dominant collective excitations, (iv) the prediction of lineshapes for dynamic structure factors relevant for experiments performed on a variety of quasi-1D antiferromagnetic compounds, including KCuF$_3$, Cu(C$_4$H$_4$N$_2)(NO_3)_2$, and CuGeO$_3$.Comment: 13 pages, 12 figure

Coil-helix transition of polypeptide at water-lipid interface

We present the exact solution of a microscopic statistical mechanical model for the transformation of a long polypeptide between an unstructured coil conformation and an $\alpha$-helix conformation. The polypeptide is assumed to be adsorbed to the interface between a polar and a non-polar environment such as realized by water and the lipid bilayer of a membrane. The interfacial coil-helix transformation is the first stage in the folding process of helical membrane proteins. Depending on the values of model parameters, the conformation changes as a crossover, a discontinuous transition, or a continuous transition with helicity in the role of order parameter. Our model is constructed as a system of statistically interacting quasiparticles that are activated from the helix pseudo-vacuum. The particles represent links between adjacent residues in coil conformation that form a self-avoiding random walk in two dimensions. Explicit results are presented for helicity, entropy, heat capacity, and the average numbers and sizes of both coil and helix segments.Comment: 22 pages, 12 figures, accepted for publication by JSTA

Optimization of Short Coherent Control Pulses

The coherent control of small quantum system is considered. For a two-level system coupled to an arbitrary bath we consider a pulse of finite duration. We derive the leading and the next-leading order corrections to the evolution operator due to the non-commutation of the pulse and the bath Hamiltonian. The conditions are computed that make the leading corrections vanish. The pulse shapes optimized in this way are given for $\pi$ and $\frac{\pi}{2}$ pulses.Comment: 9 pages, 6 figures; published versio

Lineshape predictions via Bethe ansatz for the one-dimensional spin-1/2 Heisenberg antiferromagnet in a magnetic field

The spin fluctuations parallel to the external magnetic field in the ground state of the one-dimensional (1D) s=1/2 Heisenberg antiferromagnet are dominated by a two-parameter set of collective excitations. In a cyclic chain of N sites and magnetization 0<M_z<N/2, the ground state, which contains 2M_z spinons, is reconfigured as the physical vacuum for a different species of quasi-particles, identifiable in the framework of the coordinate Bethe ansatz by characteristic configurations of Bethe quantum numbers. The dynamically dominant excitations are found to be scattering states of two such quasi-particles. For N -> \infty, these collective excitations form a continuum in (q,\omega)-space with an incommensurate soft mode. Their matrix elements in the dynamic spin structure factor S_{zz}(q,\omega) are calculated directly from the Bethe wave functions for finite N. The resulting lineshape predictions for N -> \infty complement the exact results previously derived via algebraic analysis for the exact 2-spinon part of S_{zz}(q,\omega) in the zero-field limit. They are directly relevant for the interpretation of neutron scattering data measured in nonzero field on quasi-1D antiferromagnetic compounds.Comment: 10 page

Quantum chaos: an introduction via chains of interacting spins-1/2

We introduce aspects of quantum chaos by analyzing the eigenvalues and the eigenstates of quantum many-body systems. The properties of quantum systems whose classical counterparts are chaotic differ from those whose classical counterparts are not chaotic. The spectrum of the first exhibits repulsion of the energy levels. This is one of the main signatures of quantum chaos. We show how level repulsion develops in one-dimensional systems of interacting spins 1/2 which are devoid of random elements and involve only two-body interactions. In addition to the statistics of the eigenvalues, we analyze how the structure of the eigenstates may indicate chaos. The programs used to obtain the data are available online.Comment: 7 pages, 3 figure

Self-adjoint symmetry operators connected with the magnetic Heisenberg ring

We consider symmetry operators a from the group ring C[S_N] which act on the Hilbert space H of the 1D spin-1/2 Heisenberg magnetic ring with N sites. We investigate such symmetry operators a which are self-adjoint (in a sence defined in the paper) and which yield consequently observables of the Heisenberg model. We prove the following results: (i) One can construct a self-adjoint idempotent symmetry operator from every irreducible character of every subgroup of S_N. This leads to a big manifold of observables. In particular every commutation symmetry yields such an idempotent. (ii) The set of all generating idempotents of a minimal right ideal R of C[S_N] contains one and only one idempotent which ist self-adjoint. (iii) Every self-adjoint idempotent e can be decomposed into primitive idempotents e = f_1 + ... + f_k which are also self-adjoint and pairwise orthogonal. We give a computer algorithm for the calculation of such decompositions. Furthermore we present 3 additional algorithms which are helpful for the calculation of self-adjoint operators by means of discrete Fourier transforms of S_N. In our investigations we use computer calculations by means of our Mathematica packages PERMS and HRing.Comment: 13 page

Generalization of short coherent control pulses: extension to arbitrary rotations

We generalize the problem of the coherent control of small quantum systems to the case where the quantum bit (qubit) is subject to a fully general rotation. Following the ideas developed in Pasini et al (2008 Phys. Rev. A 77, 032315), the systematic expansion in the shortness of the pulse is extended to the case where the pulse acts on the qubit as a general rotation around an axis of rotation varying in time. The leading and the next-leading corrections are computed. For certain pulses we prove that the general rotation does not improve on the simpler rotation with fixed axis.Comment: 6 pages, no figures; published versio

Experimental multi-scale approach to determine the local mechanical properties of foam base material in polyisocyanurate metal panels

Polyisocyanurate (PIR) foams were examined regarding their local chemical composition using ATR-IR spectroscopy. As a special parameter the PIR: Amide III intensity ratio is to be mentioned, which represents the quantity of the formed PIR groups. Based on the local PIR: Amide III intensity ratio, the mechanical properties (Young's modulus) of the foam base material were analyzed at defined positions by AFM and Nanoindentation. It turned out that the AFM method is only suitable for qualitative analysis, because the values differ strongly from macroscopic measurements. For the measurements using nanoindentation, a new embedding method was developed, which achieves significantly more realistic and reproducible results compared to the embedding method used in the literature and shows a very good agreement with the macroscopic values. In general, it has been shown that a higher PIR: Amide III intensity ratio tends to lead to a higher Young's modulus. Nevertheless, there are other, currently unknown characteristic values which also influence the Young's modulus