Related papers: Density functional study of the magnetic propertie…
We report an inelastic neutron scattering (INS) study under a magnetic field on the frustrated molecular spin cluster $V_{15}$. Several field-dependent transitions are observed and provide a comprehensive understanding of the low-energy…
We use spin-density functional theory to obtain novel expressions for the charge and spin local-field factors of an electron gas in terms of its electron-pair structure factors. These expressions (i) satisfy the compressibility and spin…
We present our calculation results for organic magnetic electrides. In order to identify the `cavity' electrons, we use maximally-localized Wannier functions and `empty atom' technique. The estimation of magnetic coupling is then performed…
A spin angular gradient approximation for the exchange correlation magnetic field in the density functional formalism is proposed. The usage of such corrections leads to a consistent spin dynamical approach beyond the local approximation.…
The local 4f-electronic spin dynamics and magnetic order in YbNi4P2 were studied by means of muon-spin relaxation measurements. Zero-field muon-spin relaxation proves static magnetic order with a strongly reduced ordered Yb3+ moment of…
The experimental study of magnetic moments for nuclear states near the ground state, $I \ge 2$, provides a powerful tool to test nuclear structure models. The study of magnetic moments in nuclei far away from the stability line is the next…
We analyze the criterion for the appearance of magnetic moments in quasicrystals approximants and liquids Al-Mn. In a Hartree-Fock scheme, it is shown that the Stoner criterion (Un_d(E_F) > 1) does not apply to these systems due to the…
We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This approach allows us to evaluate the ground state and finite…
The influence of antisite disorder occupancies on the magnetic properties of the half-metallic Co$_2$MnSi compound was studied by experimental techniques and first-principles calculations. The neutron diffraction studies show almost…
The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero…
Searches for physics beyond the Standard Model using spin sensors are susceptible to spurious frequency shifts and noise due to magnetic fields. Therefore a comagnetometer -- an auxiliary sensor that allows mundane magnetic field effects to…
A bivariate perspective on Kohn-Sham density functional theory is proposed, treating potential and density as simultaneous independent variables, and used to make fruitful connection between Lieb's rigorous foundational framework and…
The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. Within the…
The magnet system is one of the key elements of a watt balance. For the new watt balance currently under construction at the National Institute of Standards and Technology, a permanent magnet system was chosen. We describe the detailed…
Motivated by manipulating the magnetic order of bilayer CrI$_3$, we carry out microscopic calculations to find the magnetic order and various magnetic domains of the system in the presence of an electric field. Making use of density…
We use the nuclear density functional theory to determine nuclear electric quadrupole and magnetic dipole moments in all one-particle and one-hole neighbours of eight doubly magic nuclei. We align angular momenta along the intrinsic…
VO2 is renowned for its electric transition from an insulating monoclinic (M1) phase characterized by V-V dimerized structures, to a metallic rutile (R) phase above 340 Kelvin. This transition is accompanied by a magnetic change: the M1…
Binding energies and density profiles of two-dimensional systems of liquid He-4 with different geometries are studied by means of a zero-range density functional adjusted to reproduce the line tension obtained in a previous diffusion Monte…
We report on the selectivity to spin in a drag measurement. This selectivity to spin causes deep minima in the magneto-drag at odd fillingfactors for matched electron densities at magnetic fields and temperatures at which the bare spin…
Multiscale simulation is a key research tool for the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to calculate the maximum possible coercive field and expected…