Related papers: Relativistic effects in the electronic structure f…
Recent progress in experimental studies of low-dimensional systems with strong spin-orbit coupling poses a question on the effect of this coupling on the energy spectrum of electrons in semiconductor nanostructures. It is shown in the paper…
This paper presents first principles calculations of paramagnetic cubic CrN$_x$ with the aim to provide deeper insight into recently published transmission electron microscopy-based study on this material. Among several types of point…
We investigate the detailed electronic structure of PrCoO$_3$ and its temperature evolution using state-of-the-art photoemission spectroscopy and ab initio band structure calculations. We observe that in addition to the correlation effect,…
We report first principles characterization of the structural and electronic properties of (SrTiO$_{3}$)$_{5}$/(SrRuO$_{3}$)$_{1}$ superlattices. We show that the system exhibits a spin-polarized two-dimensional electron gas, extremely…
We have described properties of LiCoO_2 within the Quantum Atomistic Solid State (QUASST) theory taking into account very strong electron correlations, predominantly of the intra-atomic origin, spin-orbit coupling and the detailed local…
The orbital and spin moment of the Ni2+ ion in NiO has been calculated at 0 K to be 0.54mB and 1.99 mB respectively. Such large orbital moment, more than 20% of the total moment of 2.53 mB, proves the need for the ''unquenching'' of the…
This srudy investigates the influence of relativistic effects on some properties of the halogen group and gold atoms, including their ions. The analysis covers radii, orbital's energy, first and second ionization energies, electron…
Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…
We report electronic band structure calculations for Sr$_{4}$Ru$_{3}$O$_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the…
The electronic structure and magnetic properties of La_{1-x}A_{x}MnO_3 are investigated. It is assumed that, at the outermost layer, the environment of the Mn ions does not have cubic symmetry. The e_g orbitals are split and the double…
Strong field processes in the non-relativistic regime are insensitive to the electron spin, i.e. the observables appear to be independent of this electron property. This does not have to be the case for several active electrons where Pauli…
The presence of spin-orbit coupling drives the anomalous magnetotransport at oxide interfaces and forms the basis for numerous intriguing properties of these 2D electron systems, such as topologically protected phases or anti-localization.…
We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…
Spintronics directly based on relativistic quantum mechanics is called as relativistic spintronics, which involves the study of active control and manipulation of 4D spin-tensor degrees of freedom via the electromagnetic field tensor. For…
Transition-metal oxides have been a central subject of condensed matter physics for decades. In addition to novel electronic states driven by the influence of strong correlation, relativistic spin-orbit coupling effects have recently…
Spin-orbit coupling is a key to realize many novel physical effects in condensed matter physics. Altermagnetic materials possess the duality of real-space antiferromagnetism and reciprocal-space ferromagnetism. It has not been explored that…
The influence of disorder and interaction on the ground state polarization of the two-dimensional (2D) correlated electron gas is studied by numerical investigations of unrestricted Hartree-Fock equations. The ferromagnetic ground state is…
The effects of random distribution of magnetic impurities with concentration $x$ in a semiconductor alloy multilayer at a paramagnetic temperature are investigated by means of coherent potential approximation and tight-binding model. The…
In a common paradigm, the electronic structure of condensed matter is divided into weakly and strongly correlated compounds. While conventional band theory usually works well for the former class, many-body effects are essential for the…
In this paper a model for $3d$-subsystem of transition $3d$-metals has been proposed and used for calculation of the cohesive energy dependent on $3d$-band filling of particular metal, its bandwidth and effective intra-atomic interaction…