Related papers: Interface magnetism and electronic structure: ZnO(…
We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in the framework of generalized gradient approximation + Hubbard…
Interface engineering is an extremely useful tool for systematically investigating materials and the various ways materials interact with each other. We describe different interface engineering strategies designed to reveal the origin of…
In metal/oxide heterostructures, rich chemical, electronic, magnetic and mechanical properties can emerge from interfacial chemistry and structure. The possibility to dynamically control interface characteristics with an electric field…
We report on a comprehensive study of the electronic and magnetic structure of the striped nickelate La5/3Sr1/3NiO4. The investigation is carried out using band structure calculations based on density functional theory. A magnetic structure…
The Dzyaloshinskii-Moriya Interaction (DMI) between spins is induced by spin-orbit coupling in magnetic materials lacking inversion symmetry. DMI is recognized to play a crucial role at the interface between ferromagnetic (FM) and heavy…
Atomically flat interfaces between ternary oxides have chemically different variants, depending on the terminating lattice planes of both oxides. Electronic properties change with the interface termination which affects, for instance,…
What happens to ferromagnetism at the surfaces and interfaces of manganites? With the competition between charge, spin, and orbital degrees of freedom, it is not surprising that the surface behavior may be profoundly different than that of…
Two dimensional electron systems at oxide interfaces are often influenced by a Rashba type spin- orbit coupling (SOC), which is tunable by a transverse electric field. Ferromagnetism at the interface can simultaneously induce strong local…
A major challenge for future spintronics is to develop suitable spin transport channels with long spin lifetime and propagation length. Graphene can meet these requirements, even at room temperature. On the other side, taking advantage of…
A general consideration is presented for the magnetic interaction at an interface between a perovskite manganite and other transition metal oxides. The latter is specified by the electron number $n$ in the $d_{3z^2-r^2}$ level as…
Obtaining an accurate theoretical description of the emergent phenomena in oxide heterostructures is a major challenge. Recently, intriguing paramagnetic spin and pinned orbital moments have been discovered by x-ray magnetic circular…
We explore manganite interface magnetism in epitaxially grown La0.7Sr0.3MnO3(LSMO)/SrTiO3 ultrathin superlattices (SL) along (110) orientation. we show that robust ferromagnetism persists down to four monolayers LSMO(MLs) (~1.1 nm in…
The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions are investigated using first-principles density-functional calculations. Abrupt and intermixed interfaces are considered, and the dependence of charge transfer,…
We present state-of-the-art electronic structure calculations for the Co$_2$MnSn full-Heusler alloy. We show that in its bulk form it is a half-metallic ferromagnet with the Fermi level being located within a tiny gap of the minority-spin…
In the isostructural oxides Ca3CoMO6 (M = Co, Rh, Ir), the CoMO6 chains made up of face-sharing CoO6 trigonal prisms and MO6 octahedra are separated by Ca atoms. We analyzed the magnetic and electronic properties of these oxides on the…
The mechanisms of magnetic and orbital interactions due to double exchange (DE) and superexchange (SE) in transition metal oxides with degenerate e_g orbitals are presented. Specifically, we study the effective spin-orbital models derived…
We report a first-principles projector augmented wave (PAW) study on Na$_{0.5}$CoO$_2$. With the sodium ion ordered insulating phase being identified in experiments, pure density functional calculations fail to predict an insulating ground…
The enhancement of interfacial Dzyaloshinskii-Moriya Interaction (DMI) in magnetic multilayers results in the stabilization of topological spin textures like chiral domain walls and skyrmions. Here we report on the evaluation of…
The electronic ground state of Ca3LiOsO6 was recently considered within an intermediate coupling regime that revealed J=3/2 spin-orbit entangled magnetic moments. Through inelastic neutron scattering and density functional theory we…
In this contribution we derive and discuss energy levels of the strongly-correlated d2 configuration of the V3+ ion (LaVO3) and of d4 configuration of the Mn3+ ion (LaMnO3) in the octahedral surroundings in the presence of the spin-orbit…