Tunable Electronic and Magnetic Properties in CrI ₃ /TeB Heterostructure With Enhanced Curie Temperature and Valley Polarization

ABSTRACT Manipulating 2D spintronics and valleytronics by external means is a great challenge in information technology. Building van der Waals (vdW) heterostructure (HS) has been proved to be an efficient method for realizing the control of spin and valley degrees of 2D materials. Here, we discovered that the TeB/CrI 3 HSs with both α‐ and β‐phase TeB monolayers display ferromagnetic (FM) semiconductor and FM metal characters with type‐II band alignments and elevated Curie temperature. By applying biaxial strains, semiconductor‐to‐metal transition and type‐II to type‐III conversion occur for α‐TeB/CrI 3 HS and β‐TeB/CrI 3 HS, respectively. Notably, the valley polarization in β‐CrI 3 /TeB HS can be further tuned under strains, resulting from the broken symmetry and magnetic proximity effect. Our findings provide a microscopic insight into 2D controllable spintronic and valleytronic devices.