Experimental and density functional study of Mn doped Bi2Te3 topological insulator

Arsham Ghasemi, D Kepaptsoglou, A. I. Figueroa, Genadi Antonov Naydenov, Philip James Hasnip, Matthew Ian James Probert, Q Ramasse, G van der Laan, T Hesjedal, Vlado Lazarov

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We present a nanoscale structural and density functional study of the Mn doped 3D topological insulator Bi2Te3. X-ray absorption near edge structure show 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 show 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.
Original languageEnglish
Article number1.4971354
Pages (from-to)126103
Number of pages1
Issue number12
Publication statusPublished - 1 Dec 2016

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  • DFT
  • density functional theory
  • topological insulators

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