Related papers: Probing weakly hybridized magnetic molecules by sp…
Using first-principles calculations, we study the magnetic properties of a Co monolayer on a Pt(111) surface with a capping monolayer of selected $5d$ elements (Re, Os, Ir, Pt and Au). First we determine the tensorial exchange interactions…
Motivated by growing interest in atomically-thin van der Waals magnetic materials, we present an {\it ab initio} theoretical study of the dependence of their magnetic properties on the electron/hole density $\rho$ induced via the electrical…
The system of an iron phthalocyanine molecule on the Au(111) surface, has been studied recently due to its peculiar properties. In particular, several surprising results of scanning tunneling spectroscopy changing the position of the…
During the past decade, CoFe2O4 (hard)/Co-Fe alloy (soft) magnetic nanocomposites have been routinely prepared by partial reduction of CoFe2O4 nanoparticles. Monoxide (i.e., FeO or CoO) has often been detected as a byproduct of the…
Motivated by the discovery of the quantum anomalous Hall effect in Cr-doped \ce{(Bi,Sb)2Te3} thin films, we study the generic states for magnetic topological insulators and explore the physical properties for both magnetism and itinerant…
Magnetism in single-side hydrogenated (C$_2$H) and fluorinated (C$_2$F) graphene is analyzed in terms of the Heisenberg model with parameters determined from first principles. We predict a frustrated ground state for both systems, which…
Due to spin-orbit coupling (SOC), crucial for the quantum spin Hall (QSH) effect, a quantized spin-Hall conductivity has not yet been reported in QSH insulators and other realistic materials. Here, we tackle this challenge by predicting…
Controlling interfacial interactions in magnetic/topological insulator heterostructures is a major challenge for the emergence of novel spin-dependent electronic phenomena. As for any rational design of heterostructures that rely on…
Topological insulators with intrinsic magnetic order are emerging as an exciting platform to realize fundamentally new excitations from topological quantum states of matter. To study these systems and their physics, people have proposed a…
Magnetic Weyl semimetals (WSM) have recently attracted much attention due to their potential in realizing strong anomalous Hall effects. Yet, how to design such systems remains unclear. Based on first-principles calculations, we show here…
CoCr$_2$O$_4$ has attracted significant attention recently due to several interesting properties such as magnetostriction, magnetoelectricity etc.. More recent experiments on Fe substituted CoCr$_2$O$_4$ observed a variety of novel…
Films of metal-insulator nanogranular composites M$_x$D$_{100-x}$ with different composition and percentage of metal and dielectric phases (M = Fe, Co, CoFeB; D = Al$_2$O$_3$, SiO$_2$, LiNbO$_3$; x $\approx$ 15-70 at.%) are investigated by…
In using the fully relativistic versions of the Embedded Cluster and Screened Korringa-Kohn-Rostoker methods for semi-infinite systems the magnetic properties of single adatoms of Fe and Co on Ir(111) and Pt(111) are studied. It is found…
We report results of joint experimental and theoretical studies on magnetoelectric (ME) compounds Co4Nb2O9 and Co4Ta2O9. On the experimental side, we present results of the magnetization and dielectric permittivity measurements in the…
The structure and static magnetic properties - saturation magnetization, perpendicular anisotropy, spectroscopic g-factor, and orbital magnetization - of thin-film 3d transition metal alloys are determined over the full range of alloy…
Magnetism in doped transition metal dichalcogenide monolayers and van der Waals interfaced materials have motivated the search for sustainable magnetic states at the nanoscale with the prospect of building devices for spintronics…
We present a comprehensive study of the adsorption behavior of iron phthalocyanine on the low-index crystal faces of silver. By combining measurements of the reciprocal space by means of photoelectron momentum mapping and low energy…
Recent theoretical and experimental advances have identified cobaltates with a high-spin $d^7$ electronic configuration as promising hosts for spin-orbit entangled $J_{eff} = 1/2$ magnetism that can support bond-dependent exchange…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
Identifying and characterizing the parent phases of iron-based superconductors is an important step towards understanding the mechanism for their high temperature superconductivity. We present an investigation into the magnetic interactions…