8 citations · 19 across the 6 of their papers we have counts for
6 papers
Surface anisotropy of iron oxide nanoparticles and slabs from first principles : influence of coatings and ligands as a test of the Heisenberg model
Katarzyna Brymora, Florent Calvayrac
We performed ab initio computations of the magnetic properties of simple iron oxide clusters and slabs. We considered an iron oxide cluster functionalized by a molecule or glued to…
Path probability distribution of stochastic motion of non dissipative systems: a classical analog of Feynman factor of path integral
T. L. Lin, R. Wang, W. P. Bi +4
We investigate, by numerical simulation, the path probability of non dissipative mechanical systems undergoing stochastic motion. The aim is to search for the relationship between…
Ligand effects on the electronic structure and magnetism of magnetite surfaces
K. Brymora, F. Calvayrac
We address the effect of functionalization on the electronic and magnetic properties of magnetite surface as an indicator of the same properties in nanoparticles too big for a dire…
Numerical study of path probability for stochastic motion of non dissipative systems
Tongling Lin, Ru Wang, W. P. Bi +4
The path probability of stochastic motion of non dissipative or quasi-Hamiltonian systems is investigated by numerical experiment. The simulation model generates ideal one-dimensio…
Coupled structural and magnetic properties of ferric fluoride nanostructures: part II, a Monte-Carlo Heisenberg study
B. Fongang, I. Labaye, J. -M. Greneche +2
We present a numerical study of the magnetic structure of nanostructured iron fluoride, using the Monte-Carlo-Metropolis simulated annealing technique and a classical Heisenberg Ha…
Coupled structural and magnetic properties of ferric fluoride nanostructures part I: a Metropolis atomistic study
B. Fongang, I. Labaye, S. Zekeng +2
A modified Metropolis atomistic simulation is proposed to model the structure of grain boundaries (GBs) and interfaces in ionic nanostructured systems and is applied to the magneti…