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2016 ; 6
(ä): 26123
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A new class of large band gap quantum spin hall insulators: 2D fluorinated
group-IV binary compounds
#MMPMID27212604
Padilha JE
; Pontes RB
; Schmidt TM
; Miwa RH
; Fazzio A
Sci Rep
2016[May]; 6
(ä): 26123
PMID27212604
show ga
We predict a new class of large band gap quantum spin Hall insulators, the
fluorinated PbX (X?=?C, Si, Ge and Sn) compounds, that are mechanically stable
two-dimensional materials. Based on first principles calculations we find that,
while the PbX systems are not topological insulators, all fluorinated PbX (PbXF2)
compounds are 2D topological insulators. The quantum spin Hall insulating phase
was confirmed by the explicitly calculation of the Z2 invariant. In addition we
performed a thorough investigation of the role played by the (i) fluorine
saturation, (ii) crystal field, and (iii) spin-orbital coupling in PbXF2. By
considering nanoribbon structures, we verify the appearance of a pair of
topologically protected Dirac-like edge states connecting the conduction and
valence bands. The insulating phase which is a result of the spin orbit
interaction, reveals that this new class of two dimensional materials present
exceptional nontrivial band gaps, reaching values up to 0.99?eV at the ? point,
and an indirect band gap of 0.77?eV. The topological phase is arisen without any
external field, making this system promising for nanoscale applications, using
topological properties.