Related papers: Interface magnetism and electronic structure: ZnO(…
Many proposed and realized spintronic devices involve spin injection and accumulation at an interface between a ferromagnet and a non-magnetic material. We examine the electric field, voltage profile, charge distribution, spin fluxes, and…
Magnetoelectric effects are investigated ab-initio at the interface between half-metallic and ferroelectric prototypes: Heusler Co$_2$MnSi and perovskite BaTiO$_3$. For the Co-termination ferroelectricity develops in BaTiO$_3$ down to…
The spin-density functional theory (DFT) and DFT+$U$ with Hubbard $U$ term accounting for on-site Coulomb interactions were applied to investigate structure, stability, and electronic properties of different terminations of the…
Rapidly increasing interest in low-dimensional materials is driven by the emerging requirement to develop nanoscale solid-state devices with novel functional properties that are not available in three-dimensional bulk phases. Among the…
Dielectric interfaces critical for metal-oxide-semiconductor (MOS) electronic devices, such as the Si/SiO$_2$ MOS field effect transistor (MOSFET), possess trap states that can be visualized with electrically-detected spin resonance…
Vanadium spinels (ZnV_2O_4, MgV_2O_4, and CdV_2O_4) exhibit a sequence of structural and magnetic phase transitions, reflecting the interplay of lattice, orbital, and spin degrees of freedom. We offer a theoretical model taking into account…
Spinel oxides are an ideal setting to explore the interplay between configurational entropy, site selectivity, and magnetism in high entropy oxides. In this work we characterize the magnetic properties of the spinel…
We investigate 1, 2, 3, and 4 monolayers of iron grown on the (001) surface of ZnSe using spin density functional theory, plane-wave expansion, and ultrasoft pseudopotentials. An ideal structure of the interface is plausible due to the very…
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…
We report a strong effect of interface-induced magnetization on the transport properties of magnetic tunnel junctions consisting of ferromagnetic manganite La$_{0.7}$Ca$_{0.3}$MnO$_{3}$ and insulating cuprate PrBa$_{2}$Cu$_{3}$O$_{7}$.…
We report the formation of a novel ferromagnetic state in the antiferromagnet BiFeO3 at the interface with La0.7Sr0.3MnO3. Using x-ray magnetic circular dichroism at Mn and Fe L2,3-edges, we discovered that the development of this…
Earlier investigation of Co_{0.2}Zn_{0.8}Fe_{1.95}Ho_{0.05}O_{4} spinel has shown the existence of "super-ferromagnetic " clusters containing Fe^{3+} and Ho^{3+} ions along with small size clusters of Fe^{3+} ions (Bhowmik et al, J. Magn.…
The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…
The origin of both the Ising chain magnetism and ferroelectricity in Ca$_3$CoMnO$_6$ is studied by $ab$ $initio$ electronic structure calculations and x-ray absorption spectroscopy. We find that Ca$_3$CoMnO$_6$ has the alternate trigonal…
We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density…
The magnetic properties of Nd${}_2$Fe${}_{14}$B (NFB)/transition metal (TM = Fe, Co) multilayer systems are studied on the basis of first-principles density functional calculations. We optimize the model structure under a variety of…
In heterostructures of LaAlO3 (LAO) and SrTiO3 (STO), two nonmagnetic insulators, various forms of magnetism have been observed [1-7], which may [8, 9] or may not [10] arise from interface charge carriers that migrate from the LAO to the…
We report on the structural and electronic properties of the interface between the multiferoic oxide YMnO$_3$ and wide band-gap semiconductor GaN studied with the Hubbard-corrected local spin density approximation (LSDA+U) to…
The inversion and volume effects on magnetism in a spinel-type magnetically frustrated compound, CoAl2O4, and its gallium-substituted system, CoAl2-xGaxO4, were investigated. Magnetically frustrated Co2+ with spin S = 3/2 on the tetrahedral…
We present a novel approach to study the spin and symmetry electronic properties of buried interfaces using low-energy spin-resolved photoemission spectroscopy. We show that this method is sensitive to interfaces buried below more than 20ML…