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@ARTICLE{Momida:842026,
author = {Momida, Hiroyoshi and Bihlmayer, Gustav and Blügel, Stefan
and Segawa, Kouji and Ando, Yoichi and Oguchi, Tamio},
title = {{T}opological interface states in the natural
heterostructure ({P}b{S}e) 5 ( {B}i 2 {S}e 3 ) 6 with {B}i
{P}b defects},
journal = {Physical review / B},
volume = {97},
number = {3},
issn = {2469-9950},
address = {Woodbury, NY},
publisher = {Inst.},
reportid = {FZJ-2018-00310},
pages = {035113},
year = {2018},
abstract = {We study theoretically the electronic band structure of
(PbSe)5(Bi2Se3)6, which consists of an ordinary insulator
PbSe and a topological insulator Bi2Se3. The
first-principles calculations show that this material has a
gapped Dirac-cone energy dispersion inside the bulk, which
originates from the topological states of Bi2Se3 layers
encapsulated by PbSe layers. Furthermore, we calculate the
band structures of (BixPb1−xSe)5(Bi2Se3)6 with BiPb
antisite defects included in the PbSe layers. The result
shows that a high density of BiPb defects can exist in real
materials, consistent with the experimentally estimated x of
more than $30\%.$ The BiPb defects strongly modify the band
alignment between Bi2Se3 and PbSe layers, while the
topological interface states of Bi2Se3 are kept as a gapped
Dirac-cone-like dispersion.},
cin = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
ddc = {530},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
$I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
pnm = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
Controlling Configuration-Based Phenomena (POF3-143)},
pid = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000419615100002},
doi = {10.1103/PhysRevB.97.035113},
url = {https://juser.fz-juelich.de/record/842026},
}