Mathematical description data: Spin-resolved electron transport in nanoscale heterojunctions: Theory and applications

Data Brief. 2020 Sep 1:32:106233. doi: 10.1016/j.dib.2020.106233. eCollection 2020 Oct.

Abstract

This study demonstrates a mathematical description of a point-like nanocontact model, which is developed to simulate electron transport through a nanoconstriction between magnetic or non-magnetic contact sides. The theory represents a solution to the quasi-(semi)-classical transport equations for charge current, which takes into account second-order derivatives of the related quasi-classical Green functions along the transport direction. The theoretical approach also enables the creation of an I-V model for a heterojunction with embedded objects, where the initial condition, a conduction band minimum profile of the system, is well-defined. The presented spin-resolved current approach covers a complete range of the scales including quantum, ballistic, quasi-ballistic (intermediate), and diffusive classical transport conditions, with a smooth transition between them without residual terms or any empirical variables. The main benefit of the mathematical solution is its novel methodology, which is an alternative candidate to the well-known Boltzmann technique.

Keywords: Ballistic and diffusive transport model; Heterojunctions; I–V modeling; Point-like contact model; Spin-resolved contact conductance.