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physics.comp-ph2025★ 1 cited
Predicting and understanding diffusion lengths and lifetimes in solids via a many-body \textit{ab initio} method: The role of coupled dynamics
Junqing Xu
We present an \textit{ab initio} method of diffusion, relaxation and dephasing processes of arbitrary observables, and corresponding diffusion lengths and lifetimes in solids. The…
physics.comp-ph2024
Spin relaxation in graphite due to spin-orbital-phonon interaction from first-principles density-matrix approach
Junqing Xu
We predict "intrinsic" spin relaxation times () of graphite due to spin-orbit-phonon interaction, i.e., the combination of spin-orbit coupling and electron-phonon interactio…
physics.comp-ph2024
\textit{Ab initio} Wannier-representation-based calculations of photocurrent in semiconductors and metals
Junqing Xu, Haixiao Xiao
We present a general ab initio method based on Wannier functions using the covariant derivative for simulating the photocurrent in solids. The method is widely applicable to charge…