Related papers: Hyperfine structure of Sc@C82 from ESR and DFT

The structural and electronic properties of the carbonyl sulfide dimer anion are calculated using density functional theory within a pseudopotential method. Three geometries are optimized and investigated: C2v and C2 symmetric, as well as…

Lanthanide 4f electrons are strongly influenced by spin-orbit coupling, resulting in well-defined J multiplets, which are further split by the crystalline electric field in condensed matter. While the anisotropy of 4f electrons is closely…

The $10$ GHz microwave conductivity, $\sigma(T)$ and high field, $222$ GHz electron spin resonance (HF-ESR) of Li$_4$C$_{60}$ fulleride is measured in a wide temperature range. We suggest that the majority of ESR active sites and at least…

A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HSE06) as exchange-correlation functional. It is found that…

Recently, rutile RuO$_2$ has attracted renewed interest due to expectations of prominent altermagnetic spin-splitting. However, accumulating experimental evidence suggests that in its bulk and thick-film forms, RuO$_2$ does not display any…

Appearance of strong spin-orbit coupling (SOC) is apparent in ternary equiatomic compounds with 5$d$-electrons due to the large atomic radii of transition metals. SOC plays a significant role in the emergence of unconventional…

Heavy metals are key to spintronics because of their high spin-orbit coupling (SOC) leading to efficient spin conversion and strong magnetic interactions. When C60 is deposited on Pt, the molecular interface is metallised and the spin Hall…

We present theoretical calculations of the Land\'e g-factors of semiconductor nanostructures using a time-dependent empirical tight-binding method. The eigenenergies and eigenfunctions of the band edge states are calculated as a function of…

Understanding the spin dynamics in semiconductor heterostructures is highly important for future semiconductor spintronic devices. In high-mobility two-dimensional electron systems (2DES), the spin lifetime strongly depends on the initial…

Two dimensional electron gases (2DEGs) at a oxide heterostructures are attracting considerable attention, as these might substitute conventional semiconductors for novel electronic devices [1]. Here we present a minimal set-up for such a…

The magnetism of the Fe/Cr/Sn/Cr multilayers was studied by first-principles functional theory. The calculations by LAPW and SKKR methods showed that two solutions exist in the $Fe_9/Cr_{14}/Sn/Cr_2$ system. One of them is originated from…

We report results of 57Fe Mossbauer and 31P NMR studies of a phosphide FeP powder sample performed in a wide temperature range including the point (TN ~ 120 K) of magnetic phase transitions. The 57Fe Mossbauer spectra at low temperatures T…

The superconducting (SC) state of iron-based compounds in both tetragonal and orthorhombic phases is studied on the basis of an effective Hamiltonian composed of the kinetic energy including the five Fe 3d-orbitals, the orthorhombic…

The pure spinor formulation of superstring theory includes an interacting sector of central charge $c_{\lambda}=22$, which can be realized as a curved $\beta\gamma$ system on the cone over the orthogonal Grassmannian $\text{OG}^{+}(5,10)$.…

We present a multi-frequency Electron Spin Resonance (ESR) study in the range of 4 GHz to 420 GHz of the quasi-one-dimensional, non-dimerized, quarter-filled Mott insulators, delta-(EDT-TTF-CONMe_2)_2X (X=AsF_6, Br). In the high temperature…

We show that pure spin injection from a magnetic electrode into an inversion symmetry-broken system composed of a tunnel barrier and a metallic region generates a transverse charge current. Such a tunnelling spin galvanic conversion is…

Recently there has been a renewed interest in properties of the higher-spin Kitaev models, especially their low-dimensional analogues with additional interactions. These quasi-1D systems exhibit rich phase diagrams with symmetry-protected…

In this chapter we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian. We show that a spin Hamiltonian approach becomes consistent with an electronic…

We investigate the electronic properties of the tetragonal FeS superconductor by using scanning tunneling microscope/spectroscopy. It is found that the typical tunneling spectrum on the top layer of sulfur can be nicely fitted with an…

We consider elastic reflection and transmission of electrons by a disordered system characterized by a $2N\!\times\!2N$ scattering matrix $S$. Expressing $S$ in terms of the $N$ radial parameters and of the four $N\!\times\!N$ unitary…