Related papers: Spin-Orbit Coupling Parameters of sp2 Nanocarbons
We report an approach for determination of zero-field splitting parameters from four-component relativistic calculations. Our approach involves neither perturbative treatment of spin-orbit interaction nor truncation of the spin-orbit…
Akali superoxides AO2 (A=Na, K, Rb, Cs), due to an open p shell of the oxygen ion O2^- with degenerate pi orbitals, have spin and orbital degrees of freedom. The complex magnetic, orbital, and structural phase transitions observed…
We study the spin resonance peak in recently discovered iron-based superconductors. The resonance peak observed in inelastic neutron scattering experiments agrees well with predicted results for the extended $s$-wave ($s_\pm$) gap symmetry.…
Using RPA results, mean field theory, and refined data for the polarization vectors we determine the coupling constants of the four Peierls-active phonon modes to the spin chains of CuGeO_3. We then derive the values of the coupling of the…
Possible high-$T_c$ superconductivity (SC) has been found experimentally in the bilayer material La$_3$Ni$_2$O$_7$ under high pressure recently, in which the Ni-$3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$ orbitals are expected to play a key role in…
The mechanism of spin-phonon coupling in high-T$_C$ copper oxides is explored from band calculations on La$_{(2-x)}$Sr$_x$CuO$_4$ and HgBa$_2$CuO$_4$ systems. The LMTO band calculations, based on the local density approximation, are made…
Electronic spin superposition states enable nanoscale sensing through their sensitivity to the local environment, yet their sensitivity to vibrational motion also limits their coherence times. In molecular spin systems, chemical tunability…
Spin-orbit coupling (SOC) is at the heart of many exotic band-structures and can give rise to many-body states with topological order. Here we present a general scheme based on a combination of microwave driving and lattice shaking for the…
One of the important issues of molecular spintronics is the control and manipulation of charge transport and, in particular, its spin polarization through single-molecule junctions. Using $ab$ $initio$ calculations, we explore…
The preservation and manipulation of a spin state mainly depends on the strength of the spin-orbit interaction. For pristine graphene, the intrinsic spin-orbit coupling (SOC) is only in the order of few ueV, which makes it almost impossible…
Spin-dependent partial conductances are evaluated in a tight-binding description of electron transport in the presence of spin-orbit (SO) couplings, using transfer-matrix methods. As the magnitude of SO interactions increases, the…
Spin-triplet superconductivity (SC) offers a unique avenue for realizing non-Abelian Majorana zero modes and thus the fault-tolerant topological quantum computation, and has attracted a broad audience for both fundamental research and…
We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…
We consider the Kondo-Hubbard model with ferromagnetic exchange coupling $% J_{H}$, showing that it is an approximate effective model for late transition metal-O linear systems. We study the dependence of the charge and spin gaps…
Current Non-Orthogonal Configuration Interaction (NOCI) methods often use a set of Self-Consistent Field (SCF) states selected based on chemical intuition. However, it may be challenging to track these SCF states across a dissociation…
A coupling-constant definition is given based on the compositeness property of some particle states with respect to the elementary states of other particles. It is applied in the context of the vector-spin-1/2-particle interaction vertices…
Spin-orbit coupling in two-dimensional systems is usually characterized by Rashba and Dresselhaus spin-orbit coupling (SOC) linear in the wave vector. However, there is a growing class of materials which instead support dominant SOC cubic…
We investigate the interplay of spin-orbit coupling (SOC) and electronic correlations in Sr2RuO4 using dynamical mean-field theory. We find that SOC does not affect the correlation-induced renormalizations, which validates the Hund's metal…
Understanding how the orbital motion of electrons is coupled to the spin degree of freedom in nanoscale systems is central for applications in spin-based electronics and quantum computation. We demonstrate this coupling of spin and orbit in…
The $\mathbf{k \cdot p}$ method is a successful approach to obtain band structure, optical and transport properties of semiconductors, and it depends on external parameters that are obtained either from experiments, tight binding or ab…