High-Throughput Screening for 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.

Keywords: Bulk spin-split material, high-throughput, Rashba effect, Dresselhaus effect, Zeeman-type effect