Related papers: Ab initio correlation approach to a ferric wheel-l…
This work reports an exchange bias (EB) effect up to room temperature in the binary intermetallic bulk compound Mn3.04Ge0.96. The sample annealed at 700 K crystallizes in a tetragonal structure with ferromagnetic ordering, whereas, the…
We present the \emph{ab initio} calculation of the electronic structure and magnetic properties of Bi$_2$Fe$_4$O$_9$. This compound crystallizes in the orthorhombic crystal structure with the Fe$^{3+}$ ions forming the Cairo pentagonal…
The exchange effect and the magneto-plasmon mode dispersion are studied theoretically for an anisotropic two-dimensional electronic system in the presence of an uniform perpendicular magnetic field. Employing an effective low-energy model…
We consider electronic correlation effects and their impact on magnetic properties of tetragonally distorted chemically ordered FeCo alloys (L1$_0$ structure) being a promising candidate for rare-earth-free permanent magnets. We employ a…
We report on a study of interaction effects on the polarization of a disordered two-dimensional electron system in a strong magnetic field. Treating the Coulomb interaction within the time-dependent Hartree-Fock approximation we find…
The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods.…
We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based local Hamiltonian formalism which offers a rigorous approach…
We here study electronic structure and magnetic properties of bcc Co$_{x}$Fe$_{1-x}$, Cr$_{x}$Fe$_{1-x}$ and Mn$_{x}$Fe$_{1-x}$ in their ferromagnetic phases using Augmented Space Recursion technique coupled with tight-binding linearized…
Correlation effects play an important role in the electronic structure of half-metallic (HM) magnets. In particular, they give rise to non-quasiparticle states above (or below) the Fermi energy at finite temperatures that reduce the spin…
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…
For heterostructures of ultrathin, strongly correlated copper-oxide films and dielectric perovskite layers, we predict inhomogeneous electronic interface states. Our study is based on an extended Hubbard model for the cuprate film. The…
Chirality induced spin selectivity, discovered about two decades ago in helical molecules, is a non-equilibrium effect that emerges from the interplay between geometrical helicity and spin-orbit interactions. Several model Hamiltonians…
The issue of anomalous high magnetoresistance, beyond the Julli\`ere model, observed in nonmagnetic electrode-chiral molecular-ferromagnetic electrode devices has puzzled the community for a long time. Here, by considering the magnetic…
The exchange bias effect is an essential component of magnetic memory and spintronic devices. Whereas recent research has shown that anisotropies perpendicular to the device plane provide superior stability against thermal noise, it has…
In conventional exchange-bias system comprising of a bilayer film of ferromagnet (FM) and antiferromagnet (AFM), investigating the role of spin-disorder and spin-frustration inside the AFM and at the interface has been crucial in…
We present electric dipole polarizabilities ($\alpha_d$) of the alkali-metal negative ions, from H$^-$ to Fr$^-$, by employing four-component relativistic many-body methods. Differences in the results are shown by considering Dirac-Coulomb…
The approximate atomic self-interaction corrections (ASIC) method to density functional theory is put to the test by calculating the exchange interaction for a number of prototypical materials, critical to local exchange and correlation…
We study correlation effects on the transport through a quantum dot superlattice using a two-dimensional Hubbard model connected to two noninteracting leads. To calculate the zero-temperature conductance away from half-filling, we have used…
Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published…
We numerically investigate the effect of electron correlation on the integer quantum Hall effect in a square lattice. Increasing the correlation strength via the effective onsite repulsion parameter $U$ degrades the quantization of $\nu =…