We present a noniterative method to calculate spin-orbit coupling by means of a theoretical approach that provides the use of the full Breit-Pauli operator. This method was applied to compute one and two-electron spin-orbit coupling contributions between singlet and triplet, and doublet and doublet states, respectively. These states have been represented by monodeterminantal wave functions and ...

There has been increasing interest in materials where relativistic effects induce non-trivial electronic states with promise for spintronics applications. One example is the splitting of bands with opposite spin chirality produced by the Rashba spin-orbit coupling in asymmetric potentials. Sizable splittings have been hitherto obtained using either heavy elements, where this coupling is intrins...

Considering metallic films at room temperature, we present the first theoretical study of the spin Nernst and thermal Edelstein effects that takes into account dynamical spin-orbit coupling, i.e., direct spin-orbit coupling with the vibrating lattice (phonons) and impurities. This gives rise to a novel process, namely, a dynamical side-jump mechanism, and to dynamical Elliott-Yafet spin relaxat...

Spin–orbit coupling is a manifestation of special relativity. In the reference frame of a moving electron, electric fields transform into magnetic fields, which interact with the electron spin and lift the degeneracy of spin-up and spin-down states. In solid-state systems, the resulting spin–orbit fields are referred to as Dresselhaus and Rashba fields, depending on whether the electric fields ...

We study high-field spin transport of electrons in a quasi one-dimensional channel of a GaAs gate controlled spin interferometer (SPINFET) using a semiclassical formalism (spin density matrix evolution coupled with Boltzmann transport equation). Spin dephasing (or depolarization) is predominantly caused by D’yakonov-Perel’ relaxation associated with momentum dependent spin orbit coupling effect...

The spin Hall effect is a spin-orbit coupling phenomenon, which enables electric generation and detection of spin currents. This relativistic effect provides a way for realizing efficient spintronic devices based on electric manipulation of magnetization through spin torque. However, it has been believed that heavy metals are indispensable for the spin-torque generation. Here we show that the s...

We present a microscopic theory that shows the importance of spin-orbit coupling in perovskite compounds with heavy ions. In BiFeO3 (BFO) the spin-orbit coupling at the bismuth ion sites results in a special kind of magnetic anisotropy that is linear in the applied E field. This interaction can convert the cycloid ground state into a homogeneous antiferromagnet, with a weak ferromagnetic moment...

Optical control of spin is of central importance in the research of ultrafast spintronic devices utilizing spin dynamics at short time scales. Recently developed optical approaches such as ultrafast demagnetization, spin-transfer and spin-orbit torques open new pathways to manipulate spin through its interaction with photon, orbit, charge or phonon. However, these processes are limited by eithe...

Quasiparticle self-consistent GW calculations of the band structures and related effective mass parameters are carried out for bulk, monolayer and bilayer MoS2. Including excitonic effects within the Mott-Wannier theory, quantitative agreement is obtained between the A, B excitons, measured by absorption [1], and the calculated exciton gap energies at K. The A-B splitting arises from the valenc...

Fully-relativistic first-principles calculations of the Fe(001) surface demonstrate that resonant surface (interface) states may produce sizeable tunneling anisotropic magnetoresistance in magnetic tunnel junctions with a single magnetic electrode. The effect is driven by the spin-orbit coupling. It shifts the resonant surface band via the Rashba effect when the magnetization direction changes....