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. 2017 Jun 20;7(1):3912.
doi: 10.1038/s41598-017-04210-w.

Quasiparticle and optical properties of strained stanene and stanane

Pengfei Lu  1   2 , Liyuan Wu  1 , Chuanghua Yang  3 , Dan Liang  1 , Ruge Quhe  4   5 , Pengfei Guan  6 , Shumin Wang  2   7
Affiliations

Quasiparticle and optical properties of strained stanene and stanane

Pengfei Lu et al. Sci Rep. .

Abstract

Quasiparticle band structures and optical properties of two dimensional stanene and stanane (fully hydrogenated stanene) are studied by the GW and GW plus Bethe-Salpeter equation (GW-BSE) approaches, with inclusion of the spin-orbit coupling (SOC). The SOC effect is significant for the electronic and optical properties in both stanene and stanane, compared with their group IV-enes and IV-anes counterparts. Stanene is a semiconductor with a quasiparticle band gap of 0.10 eV. Stanane has a sizable band gap of 1.63 eV and strongly binding exciton with binding energy of 0.10 eV. Under strain, the quasiparticle band gap and optical spectrum of both stanene and stanane are tunable.

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Conflict of interest statement

The authors declare that they have no competing interests.

Figures

Figure 1
Figure 1
(a) Top view of the optimized atomic structure of stanene. The four-atom unit cell with perpendicular basis vectors is delineated by red dashed lines. (b) Top views of the stanene lattice under strain along ZZ, EQ and AC directions. Side views of the atomic structures of (c) stanene and (d) stanane. Blue and green balls represent Sn and H atoms, respectively.
Figure 2
Figure 2
Band structure for unstrained (a) stanene and (b) stanane calculated at the LDA (red dotted), LDA+SOC (red solid), and GW+SOC (black solid) levels.
Figure 3
Figure 3
Calculated SOC-induced gap (Δk) and overall band gap (E g) of stanene as fractions of biaxial strain along EQ direction, uniaxial strain along AC and ZZ directions. The two inserted figures represent the band structure of stanene under EQ 4% and 6% strain from GW calculations.
Figure 4
Figure 4
Calculated direct gap (E g) and spin-orbit-splitting energy (Δso) at Γ point of stanane as fractions of biaxial strain along EQ direction, uniaxial strain along AC and ZZ directions. The solid and dash lines represent E g and Δ so, respectively.
Figure 5
Figure 5
Imaginary part of dielectric functions for (a) 0% and (b) 2% EQ strained stanene with and without e–h interaction and SOC, i.e., GW+BSE, GW+RPA, GW+BSE+SOC and GW+RPA+SOC, respectively.
Figure 6
Figure 6
Imaginary part of dielectric functions for (a) 0% and (b) 2% EQ strained stanane without and with SOC and e–h interaction, i.e., GW+BSE, GW+RPA, GW+BSE+SOC, and GW+RPA+SOC, respectively; (c) Comparison between strainless and 2% EQ strained stanane.
See this image and copyright information in PMC

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