Related papers: Spin-orbit coupling in {Mo$_3$S$_7$(dmit)$_3$}
Two-level quantum systems with strong spin-orbit coupling allow for all-electrical qubit control and long-distance qubit coupling via microwave and phonon cavities, making them of particular interest for scalable quantum information…
A systematic microscopic theory of magnetically induced ferroelectricity and lattice modulation is presented for all electron configurations of Mott-insulating transition-metal oxides. Various mechanisms of polarization are identified in…
Spin-orbit coupling is relatively weak for electrons in bulk silicon, but enhanced interactions are reported in nanostructures such as the quantum dots used for spin qubits. These interactions have been attributed to various dissimilar…
We report density functional theory calculations for Mo$_3$S$_7$(dmit)$_3$. We derive an ab initio tight-binding model from overlaps of Wannier orbitals; finding a layered model with interlayer hopping terms $\sim3/4$ the size of the…
We derive an effective Hamiltonian which describes the dynamics of electrons in the conduction band of transition metal dichalcogenides (TMDC) in the presence of perpendicular electric and magnetic fields. We discuss in detail both the…
With octahedrally coordinated $t_{\rm 2g}$ orbitals which are active at filling $n=2$, the $\rm Sr_2CrO_4$ compound exhibits rich interplay of spin-orbital physics with tetragonal distortion induced crystal field tuning by external agent…
Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…
We derive the effective charge- and current-density operators for the strong-coupling limit of a single-band Mott insulator in the presence of spin-orbit coupling and show that the spin-orbit contribution to the effective charge density…
It is widely admitted that the helical conformation of certain chiral molecules may induce a sizable spin selectivity observed in experiments. Spin selectivity arises as a result of the interplay between a helicity-induced spin-orbit…
Motivated by recent neutron and x-ray observations in V$_2$O$_3$, we derive the effective Hamiltonian in the strong coupling limit of an Hubbard model with three degenerate t_{2g} states containing two electrons coupled to spin S = 1, and…
The theoretical understanding of the spin-orbit coupling (SOC) effects at LaAlO$_{3}$/SrTiO$_{3}$ interfaces and SrTiO$_{3}$ surfaces is still in its infancy. We perform first-principles density-functional-theory calculations and derive…
When focusing on a few essential bands in an effective description of a material to calculate observable quantities, the respective operators have to be adjusted accordingly. Ignoring contributions arising from integrating out remote bands…
The electronic spin-orbit coupling in carbon nanotubes is strongly enhanced by the curvature of the tube surface and has important effects on the single-particle spectrum. Here, we include the full spin-orbit interaction in the formulation…
The essential role of synthetic spin-orbit coupling in discovering new topological matter phases with cold atoms is widely acknowledged. However, the engineering of spin-orbit coupling remains unclear for arbitrary-spin models due to the…
We report the violation of the Pauli limit due to intrinsic spin-orbit coupling in SrTiO3 heterostructures. Via selective doping down to a few nanometers, a two-dimensional superconductor is formed, geometrically suppressing orbital…
Spin orbit coupling provides a mechanism to lock the momentum of electron to its spin degree, recent years was revealed to be essential in arousing many novel physical behaviors. SrIrO3 is a typical metallic member of the strong spin orbit…
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of vibronic coupling with multi-reference wavefunction methods…
Orthorhombic SrIrO3 subjected to strain show tunable transport properties. With underlying symmetry remaining invariant, these properties are associated with IrO6 octahedral tilting. Adopting to first-principles methods, the effects of…
We reconsider a key point in semiconductor physics, the splitting of the valence band states induced by the spin-orbit interaction, through a novel approach which uses neither the group theory formalism, nor the usual…
We develop an effective tight-binding Hamiltonian for spin-orbit (SO) interaction in bent carbon nanotubes (CNT) for the electrons forming the $\pi$ bonds between the nearest neighbor atoms. We account for the bend of the CNT and the…