相关论文: First-principles studies of spin-orbital physics i…

We consider strongly spin-orbit coupled double perovskites A$_2$BB'O$_6$ with B' magnetic ions in either $d^1$ or $d^2$ electronic configuration and non-magnetic B ions. We provide insights into several experimental puzzles, such as the…

We present a new model for the study of spin-orbit coupling in interacting quasi-one-dimensional systems and solve it exactly to find the spectral properties of such systems. We show that the combination of spin-orbit coupling and…

Spin-orbit coupling in crystals is known to lead to unusual direction dependent exchange interactions, however understanding of the consequeces of such effects in molecular crystals is incomplete. Here we perform four component relativistic…

There are reasons to believe that the ground state of the magnetic rare earth pyrochlore Yb$_2$Ti$_2$O$_7$ is on the boundary between competing ground states. We have carried out $\mathrm{\textit{ab initio}}$ density functional calculations…

MgV$_{2}$O$_{4}$ is a spinel based on magnetic V$^{3+}$ ions which host both spin ($S=1$) and orbital ($l_{eff}=1$) moments. Owing to the underlying pyrochlore coordination of the magnetic sites, the spins in MgV$_{2}$O$_{4}$ only…

To leading order in displacement size, the scattering of electrons in a Cu-O plane from O displacements perpendicular to that plane is due to spin-orbit coupling. This scattering is investigated with the following results: (1) As a…

We discuss the problem of spin-orbit interaction in a 2D chaotic or diffusive quantum dot in the presence of exchange correlations. Spin-orbit scattering breaks spin rotation invariance, and in the crossover regime between different…

The mathematics of gauge theories lies behind many of the most profound advances in physics in the last 200 years, from Maxwell's theory of electromagnetism to Einstein's theory of general relativity. More recently it has become clear that…

We report neutron scattering studies of the spin correlations of the geometrically frustrated pyrochlore Tb2Mo2O7 using single crystal samples. This material undergoes a spin-freezing transition below Tg~24 K, similar to Y2Mo2O7, and has…

Electron correlation strength is predicted to be weak in 5d transition metal oxides and hence, various anomalous electronic properties observed in these systems are often attributed to the large spin-orbit interaction strength. Employing…

Transition metal oxides whose lattice structure has edge-sharing network of octahedra constitute a diverse group of intriguing materials besides compounds with corner-sharing octahedra such as perovskites. We present a theoretical…

Topological quantum materials that show strongly correlated electrons as well as topological order, for which spin-orbit coupling is a key ingredient, exhibit novel states of matter. One such example is the family of pyrochlore iridates,…

We explore the quantum pseudospin-1 pyrochlore magnet featuring Fe$^{2+}$-based spinel oxides that addresses the formation of amplitude-modulated spin-density waves. We propose that the relatively small spin-orbit coupling and the small…

We propose a scenario for the two phase transitions in $A$V$_2$O$_4$ ($A$=Zn, Mg, Cd), based on an effective spin-orbital model on the pyrochlore lattice. At high temperatures, spin correlations are strongly frustrated due to the lattice…

We present a first-principles study of the electronic structure and superconducting parameters of the compounds $A$Os$_2$O$_6$ ($A$ = Na, K, Rb, and Cs) and at ambient and applied hydrostatic pressure. We find that the sensitivity of the…

Effects of spin-orbit interactions in condensed matter are an important and rapidly evolving topic. Strong competition between spin-orbit, on-site Coulomb and crystalline electric field interactions in iridates drives exotic quantum states…

The interactions between charge and orbitally ordered $d$-electrons are important in many transition metal oxides. We propose an effective energy model for such interactions, parameterized with DFT+U calculations, so that energy…

Geometric frustration usually arises in systems that comprise magnetic moments (spins) which reside on the sites of a lattice made up of elementary triangular or tetrahedral units and which interact via antiferromagnetic nearest-neighbor…

Multipolar magnetism is an emerging field of quantum materials research. The building blocks of multipolar phenomena are magnetic ions with a non-Kramers doublet, where the orbital and spin degrees of freedom are inextricably intertwined,…

The paper presents a first attempt to look at the peculiarities of open-shell systems from the viewpoint of spin-orbit coupling. Contrary to common opinion of a negligible role of the issue for light element molecules, presented in the…