# Spin currents and spin dynamics in time-dependent density-functional theory.

@article{Capelle2001SpinCA, title={Spin currents and spin dynamics in time-dependent density-functional theory.}, author={Klaus Capelle and Giovanni Vignale and Bal{\'a}zs L. Gy{\"o}rffy}, journal={Physical review letters}, year={2001}, volume={87 20}, pages={ 206403 } }

We derive and analyze the equation of motion for the spin degrees of freedom within time-dependent spin-density-functional theory (TD-SDFT). The results are (i) a prescription for obtaining many-body corrections to the single-particle spin currents from the Kohn-Sham equation of TD-SDFT, (ii) the existence of an exchange-correlation (xc) torque within TD-SDFT, (iii) a prescription for calculating, from TD-SDFT, the torque exerted by spin currents on the spin magnetization, (iv) a novel exact…

## 72 Citations

Magnetization Dynamics from Time-Dependent Noncollinear Spin Density Functional Theory Calculations.

- PhysicsJournal of chemical theory and computation
- 2015

The magnetic exchange couplings of the bimetallic complex [Cu(bpy)(H2O)(NO3)2(μ-C2O4)] (BISDOW) are extracted from its low-frequency spin precession dynamics showing good agreement with the coupling obtained from ground state energy differences.

Effect of exchange-correlation spin–torque on spin dynamics

- PhysicsThe European Physical Journal B
- 2018

Abstract
A recently proposed exchange-correlation functional within density functional theory, which ensures that the exchange-correlation magnetic field is source-free, is shown to give non-zero…

Relativistic time-dependent density functional theories.

- Physics, ChemistryChemical Society reviews
- 2018

The foundations, formalisms, technicalities, and practicalities of relativistic time-dependent density functional theories (R- TD-DFT) for spinor excited states of molecular systems containing heavy elements are critically reviewed and the spinor Hessian can be made real-valued in this case, such that the 4C/X2C-TD-DFt eigenvalue problems can be solved in the same manner as nonrelativistic TD- DFT.

Unified theory of magnetization dynamics with relativistic and nonrelativistic spin torques

- PhysicsPhysical Review B
- 2018

Spin torques play a crucial role in operative properties of modern spintronic devices. To study current-driven magnetization dynamics, spin-torque terms providing the action of spin-polarized…

Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations.

- PhysicsJournal of chemical theory and computation
- 2017

A linear response formalism for the description of the electronic excitations of a noncollinear reference defined via Kohn-Sham spin density functional methods that is able to afford a nonzero local xc torque on the spin magnetization while still satisfying the zero-torque theorem globally.

First-principles approach to noncollinear magnetism: towards spin dynamics.

- PhysicsPhysical review letters
- 2007

A time-dependent generalization of the noncollinear OEP method is well suited for an ab initio description of spin dynamics and it is shown that the magnetic moments of solids Fe, Co, and Ni are well reproduced.

Exchange-correlation magnetic fields in spin-density-functional theory

- PhysicsPhysical Review B
- 2019

In spin-density-functional theory for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The significance of the xc…

Time-dependent density-functional spin dynamics and its application for Fe and Ni

- Physics
- 2005

The main equations of time-dependent density-functional spin dynamics are analyzed. Their relation with phenomenological spin dynamics is discussed. The finite temperature calculations in…

Semiclassical dynamics of spin density waves

- Physics
- 2018

We present a theoretical framework for equilibrium and nonequilibrium dynamical simulation of quantum states with spin-density-wave (SDW) order. Within a semiclassical adiabatic approximation that…

Spin polarization effects and their time evolutions

- Physics
- 2015

The time evolution of the density corresponding to the polarization operator, originally constructed to commute with the Dirac Hamiltonian in the absence of an external electromagnetic field, is…

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