Related papers: Transverse spin gradient functional for non-collin…
When a beam of light is laterally confined, its field distribution can exhibit points where the local magnetic and electric field vectors spin in a plane containing the propagation direction of the electromagnetic wave. The phenomenon…
We observe spin rotations caused by atomic collisions in a non-equilibrium Bose-condensed gas of $^{87}$Rb. Reflection from a pseudomagnetic barrier creates counterflow in which forward- and backward-propagating matter waves have partly…
It is shown here that Kohn-Sham equations cannot be derived from Hohenberg-Kohn theory without an additional postulate. Assuming that a functional derivative with respect to total electron density exists leads in general to a theory…
We extend some of the well established self-interaction correction (SIC) schemes of density-functional theory to the case of systems with noncollinear magnetism. Our proposed SIC schemes are tested on a set of molecules and metallic…
We present the magnetic structure of the itinerant monoarsenide, FeAs, with the B31 structure. Powder neutron diffraction confirms incommensurate modulated magnetism with wavevector $\mathbf{q} = (0.395\pm0.001)\mathbf{c}^*$ at 4 K, but…
We derive the spin-wave dynamics of a magnetic material from the time-dependent spin density functional theory in the linear response regime. The equation of motion for the magnetization includes, besides the static spin stiffness, a "Berry…
The theoretical study considers chiral spin texture induced in a 2D electron gas (2DEG) by magnetic skyrmions. We calculate the electron gas spin density as a linear response to the exchange interaction between the 2DEG and the…
We performed comparative analysis for DFT+$U$ functionals to better understand their applicability to non-collinear magnetism. Taking LiNiPO$_4$ and Sr$_2$IrO$_4$ as examples, we investigated the results out of two formalisms based on…
We investigate the spin dynamics of the non-collinear kagome triangular anti-ferromagnet Mn$_3$Rh using linear response time-dependent density functional theory. To this end, we present a novel first principles computational scheme for the…
The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation…
In this paper, we present a Kane-Mele model in the presence of magnetic field and next nearest neighbors hopping amplitudes for investigations of the spin susceptibilities of Germanene layer. Green's function approach has been implemented…
We present a new approach based on the static density functional theory (DFT) to describe paramagentic MnO, which is a representative paramagnetic Mott insulator. We appended the spin noncollinearity and the canonical ensemble to the…
We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron…
A logical foundation of equilibrium state density functional theory in a Kohn-Sham type formulation is presented on the basis of Mermin's treatment of the grand canonical state. it is simpler and more satisfactory compared to the usual…
We have developed an ensemble density functional theory which includes spin degrees of freedom for nonuniform quantum Hall systems. We have applied this theory using a local-spin-density approximation to study the edge reconstruction of…
We show an application of the functional-renormalization-group aided density functional theory to the homogeneous electron gas with arbitrary spin polarization, which gives the energy density functional in the local spin density…
The formalism developed in the first paper of the series [arXiv:0901.1060] is applied to two thermodynamic systems: (i) of three global observables (the energy, the total electron number and the spin number), (ii) of one global observable…
We show that the transverse components of spin current in a ferromagnet is linked to an off diagonal spin component of the transmission matrix at interfaces;it has little to do with the mismatch of band structures between dissimilar metals.…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
Using a pure electric current to control kagome noncollinear antiferromagnets is promising in information storage and processing, but a full description is still lacking, in particular, on intrinsic (i.e., no external magnetic fields or…