High-throughput screening giant bulk spin-split materials

Abstract

Current-induced spin polarization or electric-field-controlled energy splitting shows great potential in the application of spintronic devices, such as spin–orbit torque devices, spin transistors, and so on. These mechanisms are often found in spin-split materials with strong spin-orbital coupling (SOC), which jointly trigger the Rashba, Dresselhaus, or Zeeman effect. The essential criterion to evaluate the strength of SOC is the spin-split energy. Thus, searching for bulk materials with large spin-split energy has attracted great interest. In this work, a high-throughput workflow was designed with the proposed three-point-spin-texture method, and 440 Rashba, 411 Dresselhaus, and 469 Zeeman-type candidate materials with large spin-split energy were screened out. Moreover, the spin-split energy of Rashba material KSnSb, Dresselhaus material TaSi2, and Zeeman-type material PtN2 achieve 0.19 eV, 0.82 eV, and 0.55 eV, respectively. This work significantly expands the materials database for spintronic devices and paves the way for further experimental research.