Journal Article

FZJ-2018-05202

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Ab initio investigation of impurity-induced in-gap states in Bi 2 Te 3 and Bi 2 Se 3

Bouaziz, J. (Corresponding author)FZJ* ; dos Santos Dias, M.FZJ* ; Ibañez-Azpiroz, J. ; Lounis, S.FZJ*

2018
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/19641  doi:10.1103/PhysRevB.98.035119

Abstract: We investigate in-gap states emerging when a single 3d transition metal impurity is embedded in topological insulators (Bi2Te3 and Bi2Se3). We use a combined approach relying on first-principles calculations and an Anderson impurity model. By computing the local density of states of Cr, Mn, Fe, and Co embedded not only in surfaces of Bi2Te3 and of Bi2Se3 but also in their bulk phases, we demonstrate that in-gap states originate from the hybridization of the electronic states of the impurity with bulk bands and not with the topological surface states as is usually assumed. This finding is analyzed using a simplified Anderson impurity model. These observations are in contradiction with the prevailing models used to investigate the magnetic doping of topological insulators [R. R. Biswas et al., Phys. Rev. B 81, 233405 (2010)], which attribute the origin of the in-gap states to the hybridization with the topological surface states.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)
4. JARA - HPC (JARA-HPC)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. First-principles investigation of single magnetic nano-skyrmions (jara0189_20180501) (jara0189_20180501)
3. First-principles investigation of single magnetic nano-skyrmions (jias17_20150501) (jias17_20150501)

Appears in the scientific report 2018

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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