Related papers: Possible Magnetic Behavior in Oxygen-deficient {\b…
The anomalous Hall effect, a hallmark of broken time-reversal symmetry and spin-orbit coupling, is frequently observed in magnetically polarized systems. Its realization in non-magnetic systems, however, remains elusive. Here, we report on…
Platinum monatomic nanowires were predicted to spontaneously develop magnetism, involving a sizable orbital moment via spin orbit coupling, and a colossal magnetic anisotropy. We present here a fully-relativistic (spin-orbit coupling…
Magnetic properties of Re substituting for the divalent Zn ions and impurity pairs in wurtzite and zinc blende ZnO are analyzed by employing the Generalized Gradient Approximation with the +U corrections. The +U term applied to d(Zn), p(O),…
We describe a possible pathway to new magnetic materials with no conventional magnetic elements present. The substitution of Nitrogen for Oxygen in simple non magnetic oxides leads to holes in N 2$p$ states which form local magnetic…
The current challenge to realizing continuously tunable magnetism lies in our inability to systematically change properties such as valence, spin, and orbital degrees of freedom as well as crystallographic geometry. Here, we demonstrate…
Recent DFT calculations for Ba2CoO4 (BCO) and neutron scattering experiments for SrRuO3 (SRO) have shown that oxygen develops a magnetic polarization. Moreover, DFT calculations for these compounds also unveiled unexpected nodes in the spin…
In this work, results of {\it ab-initio} band structure calculations for $A_2BC$ Heusler compounds that have $A$ and $B$ sites occupied by transition metals and $C$ by a main group element are presented. This class of materials includes…
The discovery of ferroelectric HfO2 in thin films and more recently in bulk is an important breakthrough because of its silicon-compatibility and unexpectedly persistent polarization at low dimensions, but the origin of its ferroelectricity…
Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition metal oxides. Progress in this field is currently addressed through VO variations…
The paper deals with the U based compound UPt$_2$Si$_2$ (UPS). The material was first treated as a localized 5f-electron system. Later, an opposite opinion of a predominantly itinerant nature of the system was put forward. The most recent…
Motivated by the recent indications of ferromagnetism in transition metal oxide heterostructures, we propose a possible mechanism to generate ferromagnetism for itinerant t2g systems in two spatial dimensions that does not rely on the…
Magneto-ionics, by which the magnetic properties of a thin layer can be modified through the migration of ions within a liquid or solid electrolyte, is a fast developing research field. This is mainly due to the perspective of energy…
The phase diagram and thermodynamic properties of the (2+1)-dimensional Gross-Neveu model are studied in the presence of a constant magnetic field. The optimized perturbation theory (OPT) is used to obtain results going beyond the large-N…
The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…
TiO$_{2-\delta}$ films were deposited on (100) Lanthanum aluminates LaAlO$_{3}$ substrates at a very low oxygen chamber pressure $P\approx 0.3$ mtorr employing a pulsed laser ablation deposition technique. In previous work, it was…
The magnetism of C-doped SnO$_{2}$ (001) surfaces is studied using first-principles calculations. It is found that carbon does not induce magnetism in bulk SnO$_{2}$ when located at the oxygen site, but shows a large magnetic moment at the…
It has been predicted that the zero frequency density of states of YBCO in the superconducting phase can display interesting anisotropy effects when a magnetic field is applied parallel to the copper-oxide planes, due to the diamagnetic…
A spin-1/2 Heisenberg model on honeycomb lattice is investigated by doing triplon analysis and quantum Monte Carlo calculations. This model, inspired by Cu$_2$(pymca)$_3$(ClO$_4$), has three different antiferromagnetic exchange interactions…
The magnetic, thermodynamic and dielectric properties of the $\gamma$ - Fe${_2}$WO${_6}$ system is reported. Crystallizing in the centrosymmetric $Pbcn$ space group, this particular polymorph exhibits a number of different magnetic…
We study magnetic properties of CrO$_2$ within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. We consider the 3-orbital (per Cr site) model, containing only $t_{2g}$ states, the…