Related papers: Density functional study of the magnetic propertie…
Magnetic systems with frustration often have large classical degeneracy. We show that their low-energy physics can be understood as dynamics within the space of classical ground states. We demonstrate this mapping in a family of quantum…
We consider Bayesian estimate of static magnetic field, characterized by a prior Gaussian probability distribution, in systems of a few electron quantum dot spins interacting with infinite temperature spin environment via hyperfine…
Recently experimental techniques, such as magnetic force microscopy (MFM), have enabled the magnetic state of individual sub-micron particles to be resolved. Motivated by these experimental developments, we use Monte Carlo simulations of…
We employ density-functional theory (DFT) in the generalized gradient approximation (GGA) and its extensions GGA+$U$ and GGA+Gutzwiller to calculate the magnetic exchange couplings between pairs of Mn ions substituting Cd in a CdTe crystal…
We present the results of a muon-spin relaxation study of GeNi2O4. We provide further clarification of the two transitions to the antiferromagnetic state and measure the magnetic field dependence of the heat capacity up to 14 T. Both…
The spin structure of wave functions is reflected in the magnetic structure of the one-particle density matrix. Indeed, for single determinants we can use either one to determine the other. In this work we discuss how one can simply examine…
The distribution of noncollinear magnetism in an electronic system provides information about the kinetic energy as well as some kinetic energy densities. Two different everywhere-positive kinetic densities related to the…
We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
We study a model quantum dot system in an external magnetic field by using both the spin-density-functional theory and the current-spin-density-functional theory. The theories are used with local approximations for the spin-density and the…
We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…
The Magn\'eli phase Ti$_4$O$_7$ is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom. At low temperatures, it has non-trivial magnetic states…
We report on a numerical study of the density matrix functional introduced by Lieb, Solovej and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes {\em exactly} the quantum mechanical ground…
Different configurations of magnetic orders and cation distributions for NiFe2O4 are studied by the density functional based methods with the possible inclusion of the on-site Coulomb interaction U. The lowest energy state is an inverse…
Ce$_{3}$Bi$_{4}$Au$_{3}$ crystallizes in the same non-centrosymmetric cubic structure as the prototypical Kondo insulator Ce$_{3}$Bi$_{4}$Pt$_{3}$. Here we report the physical properties of Ce$_{3}$Bi$_{4}$Au$_{3}$ single crystals using…
We study electronic properties as a function of the six types of local environments found in the octagonal tiling. The density of states has six characteristic forms, although the detailed structure differs from site to site since no two…
Collective excitations in magnetic materials can be investigated by means of inelastic neutron scattering. We show that this experimental method gives access to the complete spectrum of magnetic fluctuations through the energy- and…
Surface states of three-dimensional topological insulators exhibit the phenomenon of spin-momentum locking, whereby the orientation of an electron spin is determined by its momentum. Probing the spin texture of these states is of critical…
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 longitudinal dipole response of a quantum dot has been calculated in the far-infrared regime using local spin density functional theory. We have studied the coupling between the collective spin and density modes as a function of the…