Related papers: A new class of organic molecular magnets
We present a first-principle study of the electronic and conduction properties of a few classes of nanowires constituted of guanine (G) molecules, self-assembled in different geometries. We first analyze the effect of the vertical…
We derive the kinetic equations for polaron hopping in organics that explicitly take into account the double occupation possibility and pair intersite correlations. The equations include simplified phenomenological spin dynamics and provide…
We investigate theoretically the effects of surface states over the magnetoresistance of Ni-based organic spin-valves. In particular we perform {\it ab initio} electronic transport calculations for a benzene-thiolate molecule chemically…
The electronic and magnetic properties of neutral substitutional transition-metal dopants in dia- mond are calculated within density functional theory using the generalized gradient approximation to the exchange-correlation potential. Ti…
High entropy oxides (HEO) are a recently introduced class of oxide materials, which are characterized by a large number of elements (i.e. five or more) sharing one lattice site which crystallize in a single phase structure. One complex…
By means of ab initio calculations and spin-polarized scanning tunneling microscopy experiments we show how to manipulate the local spin-polarization of a ferromagnetic surface by creating a complex energy dependent magnetic structure. We…
The generalized tight-binding model, being based on the spin-dependent sublattices, is developed to explore the magnetic quantization of monolayer bismuthene. The sp$^{3}$ orbital hybridizations, site energies, nearest and next-nearest…
A description of non-collinear magnetism in the framework of spin-density functional theory is presented for the exact exchange energy functional which depends explicitly on two-component spinor orbitals. The equations for the effective…
Problems of strongly interacting electrons can be greatly simplified by reducing them to effective quantum spin models. The initial step is renormalization of the Hamiltonian into a lower energy subspace. The positive and negative U Hubbard…
The dependence of the magnetic susceptibility on the magnetic field is investigated for the single molecular magnet [Mn(hfac)$_2$NITPh]$_6$. The spikes of the susceptibility detected in a magnetic field ranging from 90 T to 285 T are…
Interference of proximity induced superconducting correlations in mesoscopic metallic rings is sensitive to the magnetic flux $\Phi$ inside these rings. This is the reason for magnetoconductance oscillations in such systems. We detected…
Strong correlations, multiple lattice degrees of freedom, and the ease of doping make complex oxides a source of great research interest. Complex oxide heterointerfaces break inversion symmetry and can host a two dimensional carrier gas,…
Skyrmions, topologically protected vortex-like nanometric spin textures in magnets, have been attracting increasing attention for emergent electromagnetic responses and possible technological applications for spintronics. In particular,…
We present a theory of organic magnetoresistance (OMR) based on the quenching of the quantum correlation between the carrier's spin and its local environment when the incoherent hopping takes place. We prove that this process contributes a…
Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…
We identify the molecular ion NH^+ as a potential candidate for probing variations in the fine structure constant alpha and electron-to-proton mass ratio mu. NH^+ has an anomalously low-lying excited Sigma state, being only a few hundred…
Rare-earth-based triangular-lattice magnets provide the fertile ground to explore the exotic quantum magnetic state. Herein, we report a new family of RE-based triangular-lattice magnets Ba6RE2Ti4O17(RE= rare earth ions) crystallized into…
The effect of orbital magnetism on the chemical bonding of lateral, two-dimensional artificial molecules is studied in the case of a 2e double quantum dot (artificial molecular hydrogen). It is found that a perpendicular magnetic field…
A new high symmetry Mn12 oxocarboxylate cluster [Mn12O12(CN-o-C6H4CO2)12(CH3CO2)4(H2O)4]*8CH2Cl2 (1) with mixed carboxylate ligands is reported. It was synthesized by the standard carboxylate substitution method. 1 crystallizes in the…
In contrast to silicon-based transistors, single molecule junctions can be gated by simple mechanical means. Specifically, charge can be transferred between the junction's electrodes and its molecular bridge when the interelectrode distance…