Related papers: Reliability and applicability of magnetic force li…
The formalism for analysing the magnetic field distribution in Pauli limited superconductors developed earlier is applied to the field dependence of the vortex lattice static linewidth measured in Muon Spin Rotation ($\mu$SR) experiments.…
We study the field dependence of the antiferromagnetic spin-1/2 Heisenberg model on the square lattice by means of exact diagonalizations. In a first part, we calculate the spin-wave velocity, the spin-stiffness, and the magnetic…
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…
We study superconductivity in isolated superconducting nano-cubes and nano-squares of size $L$ in the limit of negligible disorder, $\delta/\Delta_0 \ll 1$ and $k_F L \gg 1$ for which mean-field theory and semiclassical techniques are…
The computation of global radial basis function (RBF) approximations requires the solution of a linear system which, depending on the choice of RBF parameters, may be ill-conditioned. We study the stability and accuracy of approximation…
The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calculations give a basic understanding of the underlying physics…
A transverse multipole expansion is derived, including the longitudinal components necessarily present in regions of varying magnetic field profile. It can be used for exact numerical orbit following through the fringe field regions of…
Relativistic mean field (RMF) theory is applied to investigate the properties of the radioactive neutron-rich doubly magic nucleus $^{132}$Sn and the corresponding isotopes and isotones. The two-neutron and two-proton separation energies…
The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional…
The modern quantum theory of magnetism in solids is getting commonly derived using Green's functions formalism. The popularity draws itself from remarkable opportunities to capture the microscopic landscape of exchange interactions,…
The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…
We present a multi-scale computational approach that combines atomistic spin models with the cluster multipole (CMP) method. The CMP method enables a systematic and accurate generation of complex non-collinear magnetic structures using…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
By means of the scattering angles, we obtain an effective metric of spinless binaries with radiation-reaction effects up to fourth post-Minkowskian order, which is the foundation of the effective-one-body theory. We note that there are…
The phonon dispersion was measured at room temperature along (0,0,L) in the tetragonal phase of LaFeAsO using inelastic x-ray scattering. Spin-polarized first-principles calculations imposing various types of antiferromagnetic order are in…
Machine learning potentials have emerged as a powerful tool to extend the time and length scales of first principles-quality simulations. Still, most machine learning potentials cannot distinguish different electronic spin orientations and…
This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external magnetic fields. The implementation is completely general, allowing for…
A scheme is presented to calculate on a first-principles level the spin-lattice coupling (SLC) parameters needed to perform combined molecular-spin dynamics (MSD) simulations. By treating changes to the spin configuration and atomic…
Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the…
The Ginzburg-Landau equations are derived from the microscopic theory for clean layered superconductors with $d_{x^2-y^2}$ pairing symmetry, including the Pauli paramagnetism effect. The upper critical field $H_{c2}$ parallel to the $c$…