Giant tunable Rashba spin splitting in a two-dimensional BiSb monolayer and in BiSb/AlN heterostructures

Abstract

Search of novel two-dimensional giant Rashba semiconductors is a crucial step in the development of the forthcoming nano-spintronics technology. Using first-principle calculations, we study a stable two-dimensional crystal phase of BiSb having buckled honeycomb lattice geometry, which is yet unexplored. The phonon, room temperature molecular dynamics and elastic constant calculations verify the dynamical and mechanical stability of the monolayer at 0~K and at room temperature. The calculated electronic bandstructure reveals the direct bandgap semiconducting nature of BiSb monolayer with presence of highly mobile two-dimensional electron gas (2DEG) near Fermi-level. Inclusion of spin-orbit coupling (SOC) yields the giant Rashba spin-splitting of 2DEG near Fermi-level. The calculated Rashba energy and Rashba splitting constant are 13 meV and 2.3 eV\AA, respectively. The strength of the Rashba splitting is amongst the largest yet known 2D Rashba semiconductors. We demonstrate that the strength of the Rashba spin-splitting can be significantly tuned by applying in-plane bi-axial strain on the BiSb monolayer. Presence of the giant Rashba spin-splitting together with the large electronic bandgap (1.6 eV) makes this system of peculiar interest for optoelectronics applications. Furthermore, we study the electronic properties of BiSb/AlN heterostructures having a lattice mismatch of 1.3\% at the interface. Our results suggest that BiSb monolayer and heterostructure systems could be potentially used to develop highly efficient spin field-effect transistors, optoelectronics and nano-spintronics devices. Thus, this comprehensive study of two-dimensional BiSb systems can expand the range of possible applications in the future spintronics technology.