Related papers: Spin Models and Cluster Multipole Method: Applicat…
Electron pairing and ferromagnetism in various cluster geometries are studied with emphasis on tetrahedron and square pyramid under variation of interaction strength, electron doping and temperature. These exact calculations of charge and…
Based on the Korringa-Kohn-Rostoker Green's function technique we present a computational scheme for calculating the electronic structure of layered systems with homogeneous spin-spiral magnetic state. From the self-consistent…
Magnetization dynamics in the system of magnetic nanoclusters with randomly distributed properties are studied by means of computer simulations. The main attention is paid to the possibility of coherent magnetization reversal from a…
First-principles, density-functional based electronic structure calculations are carried out for MgC(Ni_{1-x}Co_{x})_{3} alloys over the concentration range 0\leq x\leq1, using Korringa-Kohn-Rostoker coherent-potential approximation (KKR…
Characterizing the anisotropic structure in noncollinear antiferromagnets is essential for antiferromagnetic spintronics. In this work, we provide a microscopic theory linking the anisotropy effects induced by the rigid-body rotation of…
Spin models like the Heisenberg Hamiltonian effectively describe the interactions of open-shell transition-metal ions on a lattice and can account for various properties of magnetic solids and molecules. Numerical methods are usually…
Supracolloidal magnetic polymers (SMPs) are structures made by crosslinking magnetic particles. In this work, using Langevin dynamics simulations, we study the zero-field magnetic properties of clusters formed in suspensions of SMPs with…
Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at…
This paper presents a probabilistic method for capturing non-monotonic behavior under the biphasic dose-response regime observed in many biological systems experiencing different types of stress. The proposed method is based on the…
We probe for statistical and Coulomb induced spin textures among the low-lying states of repulsively-interacting particles confined to potentials that are both rotationally and time-reversal invariant. In particular, we focus on…
In the frame of the 20th Anniversary of the Journal of Nanoparticle Research (JNR), our aim is to start from the historical context twenty, years ago and to give some recent results and perspectives concerning nanomagnets prepared from…
In a reaction to excite the resonant state followed by the sequential cluster-decay, the in-plane angular correlation method is usually applied to determine the spin of the mother nucleus. However, the correlation pattern exhibited in a…
We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the potential energy surface is performed to identify the correct…
We present the first application of the made-to-measure method for modelling dynamical systems to globular clusters. Through the made-to-measure algorithm, the masses of individual particles within a model cluster are adjusted while the…
We propose a method for the evaluation of magnetic exchange couplings based on noncollinear spin-density functional calculations. The method employs the second derivative of the total Kohn-Sham energy of a single reference state, in…
The Kagome lattice is a 2D network of corner sharing triangles found in several rare earth materials resulting in a complicated and often frustrated magnetic system. In the last decades, modifications of the motif, such as breathing Kagome,…
In the last decade, the quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as the method of choice for calculations of strongly correlated molecular systems. Despite its favourable…
For face-centered cubic (fcc) and tetragonal (fct) iron a large number of magnetic configurations as a function of crystal structural parameters were studied by means of density functional theory. The stability of magnetic structures was…
Colloids can acquire a dipolar interaction in the presence of an external electric field. At high field strength, the particles form strings in the field direction. However at weaker field strength, competition with isotropic interactions…
Magnetic materials with competing magnetocrystalline anisotropy and dipolar energies can develop a wide range of domain patterns, including classical stripe domains, domain branching, as well as topologically trivial and non-trivial…