Papers › Spin Relaxation and Diffusion in Monolayer 1T'-WTe₂ from First-Principles
Spin Relaxation and Diffusion in Monolayer 1T'-WTe₂ from First-Principles
Junqing Xu, Hiroyuki Takenaka, Andrew Grieder, Jacopo Simoni, Ravishankar Sundraraman, Yuan Ping
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Understanding spin relaxation in topological systems such as quantum spin-hall (QSH) insulator is critical for realizing coherent transport at high temperature. WTe₂, known as a QSH insulator with a high transition temperature of 100K, is an important test-bed of unveiling spin relaxation mechanism in topological materials. In this work, we employ our recently-developed \emph{ab initio} density-matrix dynamics approach to investigate spin relaxation mechanism, and calculate spin lifetime and diffusion length of monolayer 1T'-WTe₂, at finite temperature under an external electric field. We found the spin lifetime of electrons have the largest anisotropy when measuring along the canted-spin-texture direction. Moreover, we found an opposite trend between spin and carrier relaxation against applied electric field. Most importantly, the relaxation mechanism under intermediate electric field around 1V/nm can not be explained by either Eillot-Yafet or Dyakonov-Perel models, which highlights the generality of our \emph{ab initio} density-matrix framework. We then proposed analytical models to explain its mechanism and compare well with \emph{ab initio} results at small and large electric field. We predict that spin lifetime and spin diffusion length of bulk-state electrons are ∼1 ps and ∼30 nm at room temperature respectively, suggesting its promise for spintronic applications.
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