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, ‡
       

(a)–(d) Illustration for top and side views of spin densities of various TMO3 clusters-doped BL/h-BN systems. Clockwise and anti-clockwise spins of electrons are given by yellow and cyan isosurfaces (0.003 e/Å3), respectively.