相关论文: Correlation effects in Co/Cu and Fe/Cr magnetic mu…
We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to…
We report \textit{ab initio} simulations of quantum transport properties of Fe/MgO/Fe trilayer structures with FeO$_{0.5}$ buffer iron oxide layer, where on-site Coulomb interaction is explicitly taken into account by local density…
A theoretical study of the magnetization curves of quasiperiodic magnetic multilayers is presented. We consider structures composed by ferromagnetic films (Fe) with interfilm exchange coupling provided by intervening nonferromagnetic layers…
The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The interfacial structure is reported for several configurations. In some cases, the…
Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of…
In antiferromagnetically coupled superlattices grown on (001) faces of cubic substrates, e.g. based on materials combinations as Co/Cu, Fe/Si, Co/Cr, or Fe/Cr, the magnetic states evolve under competing influence of bilinear and biquadratic…
The electronic structure of the VAs compound in the zinc-blende structure is investigated using a combined density-functional and dynamical mean-field theory approach. Contrary to predictions of a ferromagnetic semiconducting ground state…
We have studied the ground state of the one dimensional Hubbard superlattice structures with different unit cell sizes in the presence of electric field. Self consistent Hartree-Fock approximation calculation is done in the weak to…
Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic…
First-principles calculations have been performed in order to determine effective exchange integrals between strongly and weakly exchange-biased Co monolayers in the modulated CoCu$_2$/CoCu$_n$ superlattices. For $3\le n\le 6$ it has been…
The layered structure of the iron based superconductors gives rise to a more or less pronounced two-dimensionality of their electronic structure, most pronounced in LaOFeAs. A consequence are distinct surface states to be expected to…
Magnetic orders characterized by multiple ordering vectors harbor noncollinear and noncoplanar spin textures and can be a source of unusual electronic properties through the spin Berry phase mechanism. We theoretically show that such…
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…
The electronic and magnetic properties of many strongly-correlated systems are controlled by a limited number of states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the…
Most spectroscopic methods for studying the electronic structure of metal surfaces have the disadvantage that either only occupied or only unoccupied states can be probed, and the signal is cut at the Fermi edge. This leads to significant…
Exhibiting antiferromagnetic interlayer coupling in dilute magnetic semiconductor multilayers is essential for the realisation of magnetoresistances analogous to giant magnetoresistance in metallic multilayer structures. In this work we use…
The correlated electronic structure of the submonolayer surface systems Sn/Si(111) and Sn/Ge(111) is investigated by density-functional theory (DFT) and its combination with explicit many-body methods. Namely, the dynamical mean-field…
We report conductance measurements on multiwall carbon nanotubes in a perpendicular magnetic field. A gate electrode with large capacitance is used to considerably vary the nanotube Fermi level. This enables us to search for signatures of…
Using LDA+GTB (local density approximation+generalized tight-binding) hybrid scheme we investigate the band structure of the electron-doped high-$T_c$ material Sm$_{2-x}$Ce$_{x}$CuO$_4$. Parameters of the minimal tight-binding model for…
Study of Fe based compounds have drawn much attention due to the discovery of superconductivity as well as many other exotic electronic properties. Here, we review some of our works in these materials carried out employing density…