Related papers: Local electronic structure of rutile RuO$_2$
The crystal structure of Rb$_2$Ru$_2$O$_7$.H$_2$O was determined by three-dimensional electron diffraction from the individual crystallites of a solid-state powder product. Rb$_2$Ru$_2$O$_7$.H$_2$O crystallizes in space group…
In complex transition metal oxide heterostructures of physically dissimilar perovskite compounds, interface phenomena can lead to novel physical properties not observed in either of their constituents. This remarkable feature opens new…
Based on first principles calculations, the electronic structure of CuTeO$_4$ is discussed in the context of superconducting cuprates. Despite some significant crystallographic differences, we find that CuTeO$_4$ is similar to these…
Being motivated by recent experimental studies, we investigate magnetic structures of the Mo pyrochlores $A_2$Mo$_2$O$_7$ ($A$= Y, Nd, and Gd) and their impact on the electronic properties. The latter are closely related with the behavior…
It is shown that the properties of the superconductivity observed in Sr$_2$RuO$_4$ can be accounted for by properly taking into account the internal degrees of freedom of the system. The electrons are strongly correlated in the RuO$_2$…
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,…
Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic and magnetic properties of Sr$_2$IrO$_4$ using complementary theoretical tools: {\it ab-initio} calculations, analytical…
Chirality has been a property of central importance in chemistry and biology for more than a century, and is now taking on increasing relevance in condensed matter physics. Recently, electrons were found to become spin polarized after…
The layered-ruthenate family of materials possess an intricate interplay of structural, electronic and magnetic degrees of freedom that yields a plethora of delicately balanced ground states. This is exemplified by Ca$_{3}$Ru$_{2}$O$_{7}$,…
Altermagnets host momentum-selective spin splitting and chiral-split magnonic excitations despite vanishing net magnetization, enabling spin transport without ferromagnetism. In rutile structures, establishing altermagnetism…
Ru M$_3$-edge resonant inelastic x-ray scattering (RIXS) measurements of RuCl$_3$ with 27 meV resolution reveals a spin-orbit exciton without noticeable splitting. We extract values for the spin-orbit coupling constant ($\lambda=154\pm2$…
The surface structural phases of Ca(2-x)Sr(x)RuO(4) are investigated using quantitative Low Energy Electron Diffraction. The broken symmetry at the surface enhances the structural instability against the RuO6 rotational distortion while…
VO2, of interest for decades due to both its phenomenology and its potential applications, has a monoclinic distortion of the rutile crystal structure at ambient temperature that is coupled to its metal-insulator transition (MIT). In…
Spin-orbit coupling (SOC) leads to splitting of otherwise spin-degenerate bands in noncentrosymmetric materials, even if time-reversal symmetry is present. While this gives rise to well-known phenomena such as the Rashba and Dresselhaus…
Creating a heterostructure by combining two magnetically and structurally distinct ruthenium oxides is a crucial approach for investigating their emergent magnetic states and interactions. Previously, research has predominantly concentrated…
Using density functional theory plus self-consistent Hubbard $U$ (DFT$+U_{sc}$) calculations, we have investigated the structural and electronic properties of the rare-earth cobaltites \textit{R}CoO$_3$ (\textit{R} = Pr -- Lu). Our…
We report the magnetic and electronic properties of the bilayer ruthenate Sr$_3$Ru$_2$O$_7$ upon Fe substitution for Ru. We find that Sr$_3$(Ru$_{1-x}$Fe$_x$)$_2$O$_7$ shows a spin-glass-like phase below 4 K for $x$ = 0.01 and commensurate…
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 vibrational modes in Sr$_2$RuO$_4$ easily induce octahedral rotations without tilting. Being on the verge of a magnetic instability, such propensity of octahedral rotation may also produce magnetic fluctuations. In this work, we analyze…
Evolution of composite spin-orbital order and coupled spin-orbital excitations is studied in a variety of $d^4$ systems with $n$=$4$ electrons in the $t_{2g}$ orbital sector using the generalised self-consistent + fluctuations approach for…