Related papers: Orbital Entanglement and The Double $d$-Shell Effe…
The effect of an octupole term in a quadrupole deformed single particle potential is studied from the classical and quantum mechanical view point. Whereas the problem is nonintegrable, the quantum mechanical spectrum nevertheless shows some…
Magnetic toroidal dipole (MTD) is one of a fundamental constituent to induce magneto-electric effects in the absence of both spatial inversion and time-reversal symmetries. We report on a microscopic investigation of the atomic-scale MTD in…
Negative charge transfer $AB$O$_3$ oxides may undergo electronic metal--insulator transitions (MIT) concomitant with a dilation and contraction of nearly rigid octahedra. On both sides of the MIT are in-phase or out-of-phase (or both)…
We review studies of the electromagnetic response of various classes of correlated electron materials including transition metal oxides, organic and molecular conductors, intermetallic compounds with $d$- and $f$-electrons as well as…
Complex oxides with $4d$ and $5d$ transition-metal ions recently emerged as a new paradigm in correlated electron physics, due to the interplay between spin-orbit coupling and electron interactions. For $4d$ and $5d$ ions, the spin-orbit…
We show that in transition metal compounds containing structural metal dimers there may exist in the presence of different orbitals a special state with partial formation of singlets by electrons on one orbital, while others are effectively…
The properties of transition metal compounds are largely determined by nontrivial interplay of different degrees of freedom: charge, spin, lattice, but also orbital ones. Especially rich and interesting effects occur in systems with orbital…
A general multi-orbital Hubbard model, which includes on-site inter-orbital electron hoppings, is introduced and studied. It is shown that the on-site inter-orbital single electron hopping is one of the most basic interactions. Two electron…
Theory of dilution effect in orbital ordered system is presented. The $e_g$ orbital model without spin degree of freedom and the spin-orbital coupled model in a three-dimensional simple-cubic lattice are analyzed by the Monte-Carlo…
We apply local orbital basis density functional theory (using SIESTA) coupled with a mapping to the Anderson impurity model to estimate the Coulomb assisted or correlated hybridization between transition metal d-orbitals and ligand…
A theory of transport in the quantum Hall regime is developed for separately contacted double-layer electron systems. Inter-layer tunneling provides a channel for equilibration of the distribution functions in the two layers and influences…
Transition metal oxides are a rich group of materials with very interesting physical properties that arise from the interplay of the charge, spin, orbital, and lattice degrees of freedom. One interesting consequence of this, encountered in…
We examine the effects of electron-electron interactions on transport between edge states in a multilayer integer quantum Hall system. The edge states of such a system, coupled by interlayer tunneling, form a two-dimensional, chiral metal…
The dominant majority of the hundreds of available spin-crossover compounds, including the technologically most promising ones, are based on the Earth-abundant metal iron, making these switches particularly appealing in terms of sustainable…
We investigate the effect on molecular transport due to the different structural aspects of metal-molecule interfaces. The example system chosen is the prototypical molecular device formed by sandwiching the phenyl dithiolate molecule (PDT)…
Recent results on the optical properties of mono- and few-layers of semiconducting transition metal dichalcogenides are reviewed. Experimental observations are presented and discussed in the frame of existing models, highlighting the limits…
Both intrinsic and extrinsic orbital Hall effects (OHE) in bilayer transition metal dichalcogenides (TMDs) are investigated in the presence of short-range disorder using quantum kinetic theory. Bilayer TMDs provide an ideal platform to…
Correspondence between classical periodic orbits and quantum shell structure is investigated for a reflection-asymmetric deformed oscillator model as a function of quadrupole and octupole deformation parameters. Periodic orbit theory…
We analyze magnetic phases of monolayers of transition metal dichalcogenides that are two-valley materials with electron-electron interactions. The exchange inter-valley scattering makes two-valley systems less stable to the spin…
The electronic properties of two-dimensional transition metal dichalcogenides (2D TMDs) have attracted much attention during the last decade. We show how a diagrammatic ab initio coupled cluster singles and doubles (CCSD) treatment paired…