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Theoretical predictions and recent experimental results suggest one can engineer spin Hall effect in graphene by enhancing the spin-orbit coupling in the vicinity of an impurity. We use a Chebyshev expansion of the Kubo-Bastin formula to compute the spin conductivity tensor for a tight-binding model of graphene with randomly distributed impurities absorbed on top of carbon atoms. We model the impurity-induced spin-orbit coupling with a graphene-only Hamiltonian that takes into account three different contributions~cite{Gmitra2013} and show how the spin Hall and longitudinal conductivities depend on the strength of each spin-orbit coupling and the concentration of impurities. Additionally, we calculate the real-space projection of the density of states in the vicinity of the Dirac point for single and multiple impurities and correlate these results with the conductivity calculations.
The Smrcka-Streda version of Kubos linear response formula is widely used in the literature to compute non-equilibrium transport properties of heterostructures. It is particularly useful for the evaluation of intrinsic transport properties associated
Exact numerical calculations of the conductivity of graphene sheets with random and correlated distributions of disorders have been performed using the time-dependent real-space Kubo formalism. The disorder was modeled by the long-range Gaussian pote
Realization of the quantum-spin-Hall effect in graphene devices has remained an outstanding challenge dating back to the inception of the field of topological insulators. Graphenes exceptionally weak spin-orbit coupling -stemming from carbons low mas
The intrinsic spin Hall effect plays an important role in spintronics applications, such as spin-orbit torque-based memory. The bulk space group symmetry determines the form of the bulk spin current conductivity tensor. This paper considers materials
We herein present a first-principles formulation of the Green-Kubo method that allows the accurate assessment of the non-radiative thermal conductivity of solid semiconductors and insulators in equilibrium ab initio molecular dynamics calculations. U