Inducing opto-electronic and spintronic trends in bilayer h-BN through TMO3 clusters incorporation: Ab-initio study*

Project supported by the National Natural Science Foundation of China (Grant No. 51876049) and the Fund from the Higher Education Commission, Pakistan under SRGP (Grant No. 21-1778/SRGP/R&D/HEC/2017).

Ahmed Irfan1, Rafique Muhammad1, 2, †, Mahar Mukhtiar Ahmed3, Larik Abdul Sattar3, Tunio Mohsin Ali1, Shuai Yong2, ‡
       

Atomic structure of (a) top and (b) side view of optimized geometry of pristine 4 × 3 BL/h-BN supercell.