352 citations · 3.4k across the 93 of their papers we have counts for
15 papers · 1 filter
Young's moduli of carbon materials investigated by various classical molecular dynamics schemes
F. Gayk, J. Ehrens, T. Heitmann +3
Classical carbon potentials together with classical molecular dynamics are employed to calculate structures and physical properties of such carbon-based materials where quantum mec…
Frustration-induced exotic properties of magnetic molecules
J. Schnack
Geometric frustration of interacting spin systems is the driving force of a variety of fascinating phenomena in low-dimensional magnetism. In this contribution I will review recent…
Frustration effects in magnetic molecules
J. Schnack
Besides being a fascinating class of new materials, magnetic molecules provide the opportunity to study concepts of condensed matter physics in zero dimensions. This contribution w…
Observation of field-dependent magnetic parameters in the magnetic molecule {Ni4Mo12}
J. Schnack, M. Brueger, M. Luban +9
We investigate the bulk magnetic, electron paramagnetic resonance, and magneto-optical properties of {Ni4Mo12}, a magnetic molecule with antiferromagnetically coupled tetrahedral {…
Theoretical estimates for proton-NMR spin-lattice relaxation rates of heterometallic spin rings
M. Allalen, J. Schnack
Heterometallic molecular chromium wheels are fascinating new magnetic materials. We reexamine the available experimental susceptibility data on MCr7 wheels in terms of a simple iso…
Metamagnetic phase transition of the antiferromagnetic Heisenberg icosahedron
Christian Schröder, Heinz-Jürgen Schmidt, Jürgen Schnack +1
The observation of hysteresis effects in single molecule magnets like Mn-acetate has initiated ideas of future applications in storage technology. The appearance of a hyster…
Solitary waves on finite-size antiferromagnetic quantum Heisenberg spin rings
J. Schnack, P. Shchelokovskyy
Motivated by the successful synthesis of several molecular quantum spin rings we are investigating whether such systems can host magnetic solitary waves. The small size of these sp…
Competing Spin Phases in Geometrically Frustrated Magnetic Molecules
C. Schroeder, H. Nojiri, J. Schnack +3
We have found a class of zero-dimensional geometrically frustrated Heisenberg spin systems exhibiting anomalous behavior in an external magnetic field B similar to that occuring in…
Exchange interactions and magnetic anisotropy in the "Ni_4" magnetic molecule
A. V. Postnikov, M. Brueger, J. Schnack
Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle ca…
Magnetic characterization of the frustrated three-leg ladder compound [(CuCl2tachH)3Cl]Cl2
J. Schnack, Hiroyuki Nojiri, P. Koegerler +2
We report the magnetic features of a new one-dimensional stack of antiferromagnetically coupled equilateral copper(II) triangles. High-field magnetization measurements show that th…
Quantum rotational band model for the Heisenberg molecular magnet Mo72Fe30
J. Schnack, M. Luban, R. Modler
We derive the low temperature properties of the molecular magnet Mo72Fe30, where 30 Fe(3+) paramagnetic ions occupy the sites of an icosidodecahedron and interact via isotropic nea…
Independent magnon states on magnetic polytopes
J. Schnack, H. -J. Schmidt, J. Richter +1
For many spin systems with constant isotropic antiferromagnetic next-neighbour Heisenberg coupling the minimal energies E_{min}(S) form a rotational band, i.e. depend approximately…
Rotational modes in molecular magnets with antiferromagnetic Heisenberg exchange
J. Schnack, Marshall Luban
In an effort to understand the low temperature behavior of recently synthesized molecular magnets we present numerical evidence for the existence of a rotational band in systems of…
Unexpected properties of the first excited state of non-bipartite Heisenberg spin rings
J. Schnack
Systematic properties of the first excited state are presented for various ring sizes and spin quantum numbers which are only partly covered by the theorem of Lieb, Schultz and Mat…
Structure and relevant dimension of the Heisenberg model and applications to spin rings
K. Baerwinkel, H. -J. Schmidt, J. Schnack
For the diagonalization of the Hamilton matrix in the Heisenberg model relevant dimensions are determined depending on the applicable symmetries. Results are presented, both, by ge…