<i>Ab initio</i> ultrafast spin dynamics in solids
Junqing Xu, Adela Habib, Ravishankar Sundararaman, Yuan Ping
Abstract
The authors develop first-principles real-time density-matrix approach to directly simulate ultrafast pump-probe measurements for coupled spin and electron dynamics of general solids over $n\phantom{\rule{0}{0ex}}s$ at any temperature and doping levels. The approach is based on Lindblad dynamics and includes complete first-principles descriptions of pump, probe, and scattering processes of electron-phonon, electron-impurity, and electron-electron scatterings with self-consistent spin-orbit coupling.
Topics & Concepts
Spin (aerodynamics)ElectronCoupling (piping)PhysicsAb initioAtomic physicsScatteringCondensed matter physicsAb initio quantum chemistry methodsUltrashort pulseDensity matrixMaterials scienceQuantum mechanicsQuantumThermodynamicsLaserMoleculeMetallurgyQuantum and electron transport phenomenaElectronic and Structural Properties of OxidesTopological Materials and Phenomena