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Monolayers of Transition Metal Dichalcogenides (TMDs) are atomically thin two-dimensional crystals with attractive optoelectronic properties, which are promising for emerging applications in nanophotonics. Here, we report on the…
Fission of doubly charged metal clusters is studied using the open-shell two-center deformed jellium Hartree-Fock model and Local Density Approximation. Results of calculations of the electronic structure and fission barriers for the…
We study the coupling between collective variables of atomic spin and light polarization in an ensemble of cold 87Rb probed with polarized light. The effects of multiple hyperfine levels manifest themselves as a rank-2 tensor…
We study the physical properties of a ballistic heterostructure made of a ferromagnet (FM) and a spin-triplet superconductor (TSC) with a layered structure stacking along the direction perpendicular to the planes where a chiral px+ipy…
The large statistics of millions of hadronic Z0 decays, accumulated by the four LEP experiments between 1989 and 1995, allowed for detailed investigations of the fragmentation process. Inclusive Lambda_b baryons and Lambda hyperons at…
The magnetic anisotropy energy of Fe and Co monatomic nanowires both free-standing and at the step edge of a Pt surface is investigated within the framework of the density-functional theory and local-spin-density (LSDA) approximation.…
It is common to study the strong decay of a heavy nucleus as a tunneling phenomenon where the $\alpha$ ($^4$He) or a light nuclear cluster tunnels through the Coulomb barrier formed by its interaction with the heavier daughter nucleus. The…
Consequences of anisotropy (variation of orbital occupation) and magnetism, and their coupling, are analyzed for LSDA+U functionals, both the commonly used ones as well as less commonly applied functionals. After reviewing and extending…
Motivated by recent experimental progress, we study the effect of mechanical deformations on the superconducting pairing symmetries in monolayer black phosphorus (MBP). Starting with phonon-mediated intervalley spin-singlet…
We present the results of a polarization study based upon relativistic magnetohydrodynamic modelling of jets running into hydrostatic, spherically symmetric cluster atmospheres. For the first time in a numerical simulation, we derive…
When an amorphous solid is deformed homogeneously, the response exhibits heterogeneous plastic instabilities with localized cooperative rearrangement of cluster of particles. The heterogeneous behavior plays an important role in deciding…
The mechanism of spin-pumping, described by Tserkovnyak et al., is formally analyzed in the general case of a magnetic multilayer consisting of two or more metallic ferromagnetic (FM) films separated by normal metal (NM) layers. It is shown…
First principles linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) electronic structure calculations are used to study thickness dependencies in the surface energies and work functions of ultra-thin (111) films of…
The effect of out-of-plane orientational freedom on the orientational ordering properties of a monolayer of hard ellipsoids is studied using Parsons-Lee scaling approach and replica exchange Monte Carlo computer simulation. Prolate and…
Uranium and plutonium's 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (eg. the six different allotropes of…
In a recent paper by Jones et al., it is argued, based on FP-LAPW band-structure calculations, that previous calculations of ground-state properties for actinides, using the FP-LMTO method implemented by J. M. Wills, are in error. We…
Understanding the interplay between screening, electronic correlations, and collective excitations is essential for the design of two-dimensional quantum materials. Here, we present a comprehensive first-principles study of more than 60…
We investigate the impact of spin torque and spin pumping on the surface magnon polariton dispersion in a antiferromagnetic insulator-semiconductor heterostructure. In the bilayer system, the surface magnon polaritons conventionally couple…
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hexagonal hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the…
The spin-memory effect in the GaAs / InGaAs heterostructures with $\delta$<Mn> layer in GaAs barrier have been investigated. The effect consists in spin polarization of Mn atoms due to interaction with photogenerated spin-polarized holes.…