Numerical study of magnetization plateaux in the spin-1/2 kagome Heisenberg antiferromagnet

We clarify the existence of several magnetization plateaux for the kagome $S=1/2$ antiferromagnetic Heisenberg model in a magnetic field. Using approximate or exact localized magnon eigenstates, we are able to describe in a similar manner the plateau states that occur for magnetization per site $m=1/3$, $5/9$, and $7/9$ of the saturation value. These results are confirmed using large-scale Exact Diagonalization on lattices up to 63 sites.Comment: 8 pages; minor changes; published versio

Sr2_2Cu(PO4_4)2_2: A real material realization of the 1D nearest neighbor Heisenberg chain

We present evidence that crystalline Sr_2Cu(PO_4)_2 is a nearly perfect one-dimensional (1D) spin-1/2 anti-ferromagnetic Heisenberg model (AHM) chain compound with nearest neighbor only exchange. We undertake a broad theoretical study of the magnetic properties of this compound using first principles (LDA, LDA+U calculations), exact diagonalization and Bethe-ansatz methodologies to decompose the individual magnetic contributions, quantify their effect, and fit to experimental data. We calculate that the conditions of one-dimensionality and short-ranged magnetic interactions are sufficiently fulfilled that Bethe's analytical solution should be applicable, opening up the possibility to explore effects beyond the infinite chain limit of the AHM Hamiltonian. We begin such an exploration by examining some extrinsic effects such as impurities and defects

Linear independence of localized magnon states

At the magnetic saturation field, certain frustrated lattices have a class of states known as "localized multi-magnon states" as exact ground states. The number of these states scales exponentially with the number $N$ of spins and hence they have a finite entropy also in the thermodynamic limit $N\to \infty$ provided they are sufficiently linearly independent. In this article we present rigorous results concerning the linear dependence or independence of localized magnon states and investigate special examples. For large classes of spin lattices including what we called the orthogonal type and the isolated type as well as the kagom\'{e}, the checkerboard and the star lattice we have proven linear independence of all localized multi-magnon states. On the other hand the pyrochlore lattice provides an example of a spin lattice having localized multi-magnon states with considerable linear dependence.Comment: 23 pages, 6 figure

Finite-temperature order-disorder phase transition in a frustrated bilayer quantum Heisenberg antiferromagnet in strong magnetic fields

We investigate the thermodynamic properties of the frustrated bilayer quantum Heisenberg antiferromagnet at low temperatures in the vicinity of the saturation magnetic field. The low-energy degrees of freedom of the spin model are mapped onto a hard-square gas on a square lattice. We use exact diagonalization data for finite spin systems to check the validity of such a description. Using a classical Monte Carlo method we give a quantitative description of the thermodynamics of the spin model at low temperatures around the saturation field. The main peculiarity of the considered two-dimensional Heisenberg antiferromagnet is related to a phase transition of the hard-square model on the square lattice, which belongs to the two-dimensional Ising model universality class. It manifests itself in a logarithmic (low-)temperature singularity of the specific heat of the spin system observed for magnetic fields just below the saturation field

Enhanced magnetocaloric effect in frustrated magnetic molecules with icosahedral symmetry

We investigate the magnetocaloric properties of certain antiferromagnetic spin systems that have already been or very likely can be synthesized as magnetic molecules. It turns out that the special geometric frustration which is present in antiferromagnets that consist of corner-sharing triangles leads to an enhanced magnetocaloric effect with high cooling rates in the vicinity of the saturation field. These findings are compared with the behavior of a simple unfrustrated spin ring as well as with the properties of the icosahedron. To our surprise, also for the icosahedron large cooling rates can be achieved but due to a different kind of geometric frustration.Comment: 5 pages, 8 figures, more information at http://obelix.physik.uni-osnabrueck.de/~schnack

A Further Perspective on Data Stewardship: Experiences and Challenges of "RDM-Stewards" in a Collaborative Project in Rhineland-Palatinate

Poster presented at the Data Stewardship Goes Germany Workshop at SLUB Dresden.This research and development project is funded by the German Federal Ministry of Education and Research (BMBF) within the funding measure Reuse and Management of Research Data at Universities of Applied Sciences (funding number 16FDFH104A) and financed within the Recovery and Resilience Facility of the European Union

Ground state of the spin-1/2 Heisenberg antiferromagnet on an Archimedean 4-6-12 lattice

An investigation of the N\'eel Long Range Order (NLRO) in the ground state of antiferromagnetic Heisenberg spin system on the two-dimensional, uniform, bipartite lattice consisting of squares, hexagons and dodecagons is presented. Basing on the analysis of the order parameter and the long-distance correlation function the NLRO is shown to occur in this system. Exact diagonalization and variational (Resonating Valence Bond) methods are applied.Comment: 4 pages, 6 figure

Chain elongation in anaerobic reactor microbiomes to recover resources from waste

Different microbial pathways can elongate the carbon chains of molecules in open cultures of microbial populations (i.e. reactor microbiomes) under anaerobic conditions. Here, we discuss three such pathways: 1. homoacetogenesis to combine two carbon dioxide molecules into acetate; 2. succinate formation to elongate glycerol with one carbon from carbon dioxide; and 3. reverse β oxidation to elongate short-chain carboxylates with two carbons into medium-chain carboxylates, leading to more energy-dense and insoluble products (e.g. easier to separate from solution). The ability to use reactor microbiomes to treat complex substrates can simultaneously address two pressing issues: 1. providing proper waste management; and 2. producing renewable chemicals and fuels.The authors thank Wolfgang Bucket (MPI Marburg) for assistance with Figure 1. C.M.S. and L.T.A. were supported by the U. S. Army Research Laboratory and the U. S. Army Research Office under contract/grant number W911NF-12-1-0555. H.R. was supported for this work by the Cornell University Agricultural Experiment Station federal formula funds, Project No. NYC-123452 received from the National Institutes for Food and Agriculture (NIFA), U.S. Department of Agriculture. K.R. was supported by the European Research Council Starter Grant Electrotalk and the Multidisciplinary Research Partnership Ghent Bio-Economy. A.J.M.S. was supported by the Chemical Sciences division of the Netherlands Science Foundation (CW-TOP 700.55.343) and the European Research Council (ERC grant 323009)

The J_1-J_2 antiferromagnet with Dzyaloshinskii-Moriya interaction on the square lattice: An exact diagonalization study

We examine the influence of an anisotropic interaction term of Dzyaloshinskii-Moriya (DM) type on the groundstate ordering of the J_1-J_2 spin-1/2-Heisenberg antiferromagnet on the square lattice. For the DM term we consider several symmetries corresponding to different crystal structures. For the pure J_1-J_2 model there are strong indications for a quantum spin liquid in the region of 0.4 < J_2/J_1 < 0.65. We find that a DM interaction influences the breakdown of the conventional antiferromagnetic order by i) shifting the spin liquid region, ii) changing the isotropic character of the groundstate towards anisotropic correlations and iii) creating for certain symmetries a net ferromagnetic moment.Comment: 7 pages, RevTeX, 6 ps-figures, to appear in J. Phys.: Cond. Ma

Quantum phase transitions in the J-J' Heisenberg and XY spin-1/2 antiferromagnets on square lattice: Finite-size scaling analysis

We investigate the critical parameters of an order-disorder quantum phase transitions in the spin-1/2 $J-J'$ Heisenberg and XY antiferromagnets on square lattice. Basing on the excitation gaps calculated by exact diagonalization technique for systems up to 32 spins and finite-size scaling analysis we estimate the critical couplings and exponents of the correlation length for both models. Our analysis confirms the universal critical behavior of these quantum phase transitions: They belong to 3D O(3) and 3D O(2) universality classes, respectively.Comment: 7 pages, 3 figure