Related papers: Exchange Interactions in Paramagnetic Amorphous an…
The magnetic properties of a nanoscale system are inextricably linked to its local environment. In ad-atoms on surfaces and inorganic layered structures the exchange interactions result from the relative lattice positions, layer thicknesses…
Exchange of biochemical substances is essential way in establishing communication between bacterial cells. It is noticeable that all phases of the process are heavily influenced by perturbations of either internal or external parameters.…
Aperiodicity and un-conventional rotational symmetries allow quasicrystalline structures to exhibit unprecedented physical and functional properties. In magnetism, artificial ferromagnetic quasicrystals exhibited knee anomalies suggesting…
A method is derived for calculating the pairing kernel in exchange mediated superconductors including matrix element effects. Various models for the interaction vertex are considered, including spin exchange, orbital exchange, and…
Owing to their exceptional chemical and electronic tunability, metal-organic frameworks can be designed to develop magnetic ground states making a range of applications feasible, from magnetic gas separation to the implementation of…
We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we…
We study the exchange interaction and the subsequent collective behavior of magnetic impurities embedded in a disordered two-dimensional (2D) helical metal. The exchange coupling follows a statistical distribution whose moments are…
Employing first principles electronic structure calculations in conjunction with the frozen-magnon method we calculate exchange interactions, spin-wave dispersion, and spin-wave stiffness constants in inverse-Heusler-based spin gapless…
We present an ab initio investigation of magnetic exchange interactions using the spin-spiral method implemented in the VASP code, with a comparative analysis of the self-consistent (SC) and magnetic force theorem (MFT) approaches. Using…
We present a theoretical study of the exchange interaction in a system of spatially disordered magnetic moments. A typical example of such a system is an impurity semiconductor, whose magnetic properties are associated with the exchange…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
The ability of bridging thiophenolate groups to transmit magnetic exchange interactions between paramagnetic Ni(II) ions has been examined. For this purpose, dinuclear and trinuclear Ni(II)-complexes were prepared and fully characterized by…
The electronic structure and magnetism of chromia (corundum-type Cr2O3) are studied using full-potential first-principles calculations. The electronic correlations are included within the LSDA+U method. The energies of different magnetic…
Using a first principles linear response approach, we study the magnetic exchange interactions J for a series of superconducting cuprates. We reproduce the observed spin-wave dispersions together with other experimental trends, and show…
We analyze the momentum- and temperature dependences of the magnetic susceptibilities and magnetic exchange interaction in paramagnetic bcc iron by a combination of density functional theory and dynamical mean-field theory (DFT+DMFT). By…
By means of numerical simulations, we explore possible effects of a special interparticle interaction potential which is a function of external and internal conditions of graphene-like systems. In addition to the electromagnetic…
Superconducting quantum devices, from qubits and magnetometers to dark matter detectors, are influenced by magnetic flux noise originating from paramagnetic surface defects and impurities. These spin systems can feature complex dynamics,…
We present a computational scheme for ab initio total-energy calculations of materials with strongly interacting electrons using a plane-wave basis set. It combines ab initio band structure and dynamical mean-field theory and is implemented…
The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…