Experimental and density functional study of Mn doped Bi 2 Te 3 topological insulator

Abstract

We present a nanoscale structural and density functional study of the Mn doped 3D topological insulator Bi₂Te₃ X-ray absorption near edge structure shows that Mn has valency of nominally 2+. Extended x-ray absorption fine structure spectroscopy in combination with electron energy loss spectroscopy (EELS) shows that Mn is a substitutional dopant of Bi and Te and also resides in the van der Waals gap between the quintuple layers of Bi₂Te₃. Combination of aberration-corrected scanning transmission electron microscopy and EELS shows that Mn substitution of Te occurs in film regions with increased Mn concentration. First-principles calculations show that the Mn dopants favor octahedral sites and are ferromagnetically coupled