相关论文: The 5f localization/delocalization in square and h…
In this work, we investigate intrinsic magnetic properties of monolayer electrides LaBr$_{2}$ and La$_{2}$Br$_{5}$, where excess electrons do not reside at any atomic orbital and act as anions located at interstitial regions. Having…
In a unified approach, we study the transport properties of periodic-on-average bi-layered photonic crystals, metamaterials and electron superlattices. Our consideration is based on the analytical expression for the localization length…
Electronic structure calculations combining the local-density approximation with an exact diagonalization of the Anderson impurity model show an intermediate 5f^5-5f^6-valence ground state and delocalization of the 5f^5 multiplet of the Pu…
Although multilayer systems possess global inversion symmetry, some of the layers lack local inversion symmetry because no global inversion centers are present on such layers. Such locally non-centrosymmetric systems exhibit spatially…
We study long-range morphological changes in atomic monolayers on solid substrates induced by different types of defects; e.g., by monoatomic steps in the surface, or by the tip of an atomic force microscope (AFM), placed at some distance…
We study effects originating from the strong spin orbit coupling in CoFeB/MgO heterostructures with heavy metal (HM) underlayers. The perpendicular magnetic anisotropy at the CoFeB/MgO interface, the spin Hall angle of the heavy metal…
Results from different sets of band calculations for undoped and doped HgBa$_2$CuO$_4$ show that small changes in localization can lead to very different ground states. The normal LDA results are compared with 'modified' LDA results, in…
Axion-like particles (ALPs), which are gauge-singlets under the Standard Model (SM), appear in many well-motivated extensions of the SM. Describing the interactions of ALPs with SM fields by means of an effective Lagrangian, we discuss ALP…
Mixing of atoms at the interface was studied for Mn/Fe magnetic hetero-epitaxial layers on Cu(001) by scanning tunneling microscopy/spectroscopy. The formation of a surface alloy was observed when the Mn layer was thinner than 3 atomic…
We investigate the electronic structure of the highly anisotropic $\beta$ phase of metallic plutonium, within the combination of density functional theory (DFT) and dynamical mean field theory (DMFT). Its crystal structure gives rise to…
Multiple spin density waves and related vortex-type magnetic structures in the itinerant electron system with inversion symmetry have been investigated on the basis of the Hubbard model and the generalized Hartree-Fock approximation…
A review of methods for finding general expressions for matrix elements (non-diagonal with respect to configurations included) of any one- and two-particle operator for an arbitrary number of shells in an atomic configuration is given.…
The physical properties of Fe2CoAl (FCA) Heusler alloy are systematically investigated using the first-principles calculations within generalized gradient approximation (GGA) and GGA+U. The influence of atomic ordering with respect to the…
Analytical and geometrical properties of generalized power-law (GPL) density profiles are investigated in detail. In particular, a one-to-one correspondence is found between mathematical parameters and geometrical parameters. Then GPL…
In this work the problem of characterizing matrix material structure from embedded electron spin decoherence is studied both theoretically and experimentally. Theoretical calculation using nuclear spin bath model and cluster correlation…
Inspired by the observation of mass less Dirac particles associated with low energy excitations of 2-dimensional (2D) honeycomb (HC) lattices of group IV atoms (C, Si, Ge, Sn) near the Dirac points (DPs) and spin-orbit interaction (SOI)…
Molecules intercalating two-dimensional (2D) materials form complex structures that have been mostly characterized by spatially averaged techniques. Here we use aberration-corrected scanning transmission electron microscopy and…
Spin and orbital angular momenta are two intrinsic properties of an electron and are responsible for the physics of a solid. How the spin and orbital evolve with respect to each other on several hundred femtoseconds is largely unknown, but…
Spin-memory loss (SML) of electrons traversing ferromagnetic-metal/heavy-metal (FM/HM), FM/normal-metal (FM/NM) and HM/NM interfaces is a fundamental phenomenon that must be invoked to explain consistently large number of spintronic…
Based on the model of three-fluid dynamics (3FD), the global $\Lambda$ polarization ($P_\Lambda$) is calculated in Au+Au collisions at 3 $\leq\sqrt{s_{NN}}\leq$ 9 GeV, in which high baryon density is achieved. Various contributions to…