Related papers: Ab initio molecular and solid state studies of Fe$…
The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…
Recent progress in neutron spin-echo spectroscopy by means of longitudinal Modulation of IntEnsity with Zero Effort (MIEZE) is reviewed. Key technical characteristics are summarized which highlight that the parameter range accessible in…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
High-spin states in the doubly-odd $^{198}$Bi nucleus have been studied by using the $^{185,187}$Re($^{16}$O, xn) reactions at the beam energy of 112.5 MeV. $\gamma-\gamma$ coincidence were measured by using the INGA array with 15 Compton…
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…
The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…
The role of orbital differentiation on the emergence of superconductivity in the Fe-based superconductors remains an open question to the scientific community. In this investigation, we employ a suitable microscopic spin probe technique,…
Using density functional calculations, we find that the newly synthesized Ca$_2$FeOsO$_6$ has the high-spin Fe$^{3+}$ ($3d^5$)-Os$^{5+}$ ($5d^3$) state. The octahedral Os$^{5+}$ ion has a large intrinsic exchange splitting, and its…
Studying the prototypical ferromagnetic superconductor UGe$_2$ we demonstrate the potential of the Modulated IntEnsity by Zero Effort (MIEZE) technique---a novel neutron spectroscopy method with ultra-high energy resolution of at least…
In a recent experiment [Trishin et al., Phys. Rev. Lett. 127, 236801 (2021)] a rich physics was observed for Fe atoms on MoS$_2$/Au(111), characterized by three different behaviors depending on the spectral density of the substrate…
The substitutional dependence of valence and spin-state configurations of Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ ($x =$ 0, 0.05, 0.11, 0.17, and 0.38) is investigated with near-edge x-ray absorption fine structure at the $L_{2,3}$ edges of Fe, Co,…
Results of resonant inelastic X-ray scattering (RIXS) measurements at Fe L-edges and electronic structure calculations of LiFeAs and NaFeAs are presented. Both experiment and theory show that in the vicinity of the Fermi energy, the density…
Using first-principles density functional calculations, we perform a comparative study of two Fe based spinel compounds, FeCr2S4 and FeSc2S4. Though both systems contain an orbitally active A site with an Fe2+ ion, their properties are…
The spectra of $N$-boson systems with arbitrary nonzero spin $\mathfrak{f}$ have been studied. Firstly, only the singlet pairing interaction is considered, a set of eigenstates together with the eigenenergies are analytically obtained. The…
Quantum dynamics of strongly correlated systems is a challenging problem. Although the low energy fractional excitations of one dimensional integrable models are often well-understood, exploring quantum dynamics in these systems remains…
The relative intensity distribution in the rotationally resolved laser-induced fluorescence spectra belonging to the $E(4)^1\Sigma^+\to (a^3\Sigma^+_1,X^1\Sigma^+)$ band systems of the KCs molecule was analyzed. The experimental intensities…
We present a comparative study of the spatial distribution of the spin density (SD) of the ground state of CuCl2 using Density Functional Theory (DFT), quantum Monte Carlo (QMC), and post-Hartree-Fock wavefunction theory (WFT). A number of…
The electronic structure of the single molecule magnet system M[Fe(L)2]3*4CHCl3 (M=Fe,Cr; L=CH3N(CH2CH2O)2) has been studied using X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, soft X-ray emission spectroscopy, and…
We consider an electronic spin in a quantum dot, coupled to the surrounding nuclear spins via inhomogeneous antiferromagnetic hyperfine interactions and subject to a uniform field, which is described by Gaudin's central spin model. We study…
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combining high- resolution angle resolved photoemission…