Dannenberg, A., Gruner, M. E., Hucht, A., Entel, P.
We have calculated surface energies and surface magnetic order of various low-indexed surfaces of monoatomic Fe, Co, and Pt, and binary, ordered FePt, CoPt, and MnPt using density functional theory....
M. E. Gruner, G. Rollmann, P. Entel, G. Münster, D. Wolf, M. Kremer (editors, ...
published in
SIMULATION OF THE (p, T) PHASE DIAGRAM OF THE TEMPERATURE DRIVEN METAMAGNET α-FeRh (2008)
We perform finite pressure Monte Carlo simulations of an effective spin-analogous model with coupled magnetic and lattice degrees of freedom, which has been previously proposed in order to explain...
Massively Parallel Density Functional Theory Calculations of Large Transition Metal Clusters (2008)
M. E. Gruner, G. Rollmann, A. Hucht, P. Entel
Abstract: We report on ab initio density functional theory (DFT) calculations of structural properties of large elementary transition metal clusters with up to 561 atoms, corresponding to a diameter...
MONTE CARLO STUDY OF THE MAGNETOELASTIC PROPERTIES OF FE-NI CLUSTERS (2007)
M. E. Gruner, S. Sil, P. Entel
The search for new properties of materials composed of clusters (clusterassembled materials) or of small nanoparticles has reached a state of technological importance. Moreover the evolution of the...
MONTE CARLO STUDY OF THE MAGNETOELASTIC PROPERTIES OF FE-NI CLUSTERS (2007)
M. E. Gruner, S. Sil, P. Entel
The search for new properties of materials composed of clusters (clusterassembled materials) or of small nanoparticles has reached a state of technological importance. Moreover the evolution of the...
Magnetism of close packed Fe147 clusters (2006)
M. E. Gruner, G. Rollmann, S. Sahoo, P. Entel
We present ab initio density functional theory calculations of the magnetic structure of perfectly cuboctahedral nanoparticles consisting of 147 iron atoms. The results are compared to geometrically...
A. Schlachter, M. E. Gruner, M. Spasova, M. Farle, P. Entel
This paper presents the experimental realization of magnetic hollow microspheres. Starting from core-shell microspheres with an organic core and a shell composed of nanoparticles, we could remove the...
Gruner, M. E., Hoffmann, E., Entel, P.
Based on ab initio total energy calculations we show that two magnetic states of rhodium atoms together with competing ferromagnetic and antiferromagnetic exchange interactions are responsible for a...
High-moment – low-moment description of magnetovolume effects (2002)
M. E. Gruner, P. Entel, Theoretische Tieftemperaturphysik
Based on the assumption of a high-moment – low-moment instability of the Mn atom, we construct a simple spin model with coupled magnetic and spatial degrees of freedom to describe the Laves phase...
Monte Carlo simulations of high-moment - low-moment transitions in Invar alloys (1998)
Z. Phys, B Manuscript-nr, M. E. Gruner, R. Meyer, P. Entel
. We have reproduced magneto-volume effects typical for Invar alloys by examining a spin-analogous model which describes coupled spatial and magnetic degrees of freedom and, additionally, chemical...
Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems (1998)
M. E. Gruner, P. Entel, Theoretische Tieftemperaturphysik
We perform constant pressure Monte Carlo simulations of a spin-analogous model which describes coupled spatial and magnetic degrees of freedom on an fcc lattice. Our calculations qualitatively...
Monte Carlo simulations of magnetovolume instabilities in anti-Invar systems (1997)
We perform constant pressure Monte Carlo simulations of a spin-analogous model which describes coupled spatial and magnetic degrees of freedom on an fcc lattice. Our calculations qualitatively...