Tunable electronic properties of an Sb/InSe van der Waals heterostructure by electric field effects

Zhang, Zhihui; Zhang, Yan; Xie, Z.J.; Wei, Xing; Guo, Tingting; Fan, Jibin; Ni, Lei; Tian, Ye; Liu, Jian; Duan, Li

doi:10.1039/c8cp07407k

Cited by 56 publications

(26 citation statements)

References 48 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The AA and AB′ stackings are not energetically stable, also manifested in their large interface distances. The stacking configuration AC′ determined in our work is in agreement with the geometry described in a previous study of InSe/Sb heterostructures[35].…”

supporting

confidence: 90%

Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers

Fang

Chen

et al. 2021

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Van der Waals heterostructures formed by stacking different types of 2D materials are attracting increasing attention due to new emergent physical properties such as interlayer excitons. Recently synthesized atomically thin indium selenide (InSe) and antimony (Sb) individually exhibit interesting electronic properties such as high electron mobility in the former and high hole mobility in the latter. In this work, we present a first-principles investigation on the stability and electronic properties of ultrathin bilayer heterostructures composed of InSe and Sb single layers. The calculated electronic band structures reveal a direct band gap semiconducting nature of the InSe/Sb heterostructures independent of stacking pattern. Taking spin–orbit coupling (SOC) into account, we find a large Rashba spin splitting at the bottom of conduction band, which originates from the atomic SOC with the symmetry breaking in the heterostructure. The strength of the Rashba spin splitting can be tuned by applying in-plane biaxial strain or an out-of-plane external electric field. The presence of large Rashba spin splitting together with a suitable band gap in InSe/Sb bilayer heterostructures make them promising candidates for spin field-effect transistor and optoelectronic device applications.

show abstract

supporting

confidence: 90%

Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers

Fang

Chen

et al. 2021

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…Such separation would decrease the recombinations of photo-generated electrons and holes in solar cells and dramatically increase their efficiency. That phenomenon has also been observed in heterostructures like InSe/Sb, MoS 2 /MoSe 2 , and MoS 2 /ReS 2 [41][42][43].…”

Section: Sbsupporting

confidence: 59%

Antimonene/bismuthene vertical Van-der Waals heterostructure: A computational study

Mozvashi

Vishkayi

Tagani

2020

Physica E: Low-dimensional Systems and Nanostructures

View full text Add to dashboard Cite

In this paper, the structural, electronic, mechanical and optical properties of Antimonene/Bismuthene Van-der Waals heterostructure (Sb/Bi HS) were calculated based on the first principle density functional theory. We explored different stacks of Sb/Bi HS to find the most, and the least stable staking for this heterostructure. At the GGA level of theory, the most stable model is a semiconductor with an indirect bandgap of 159 meV. However, when the spin-orbit (SO) interaction is considered, the VBM and CBM touch the Fermi level and the HS becomes a semimetal. Our results also show that the electronic properties of the HS are robust against the external electric field and biaxial strain. Young's modulus was calculated of 64.3 N/m which predicts this HS as a resistant material against being stretched or compressed. The calculated optical properties, similar to monolayer Antimonene, are completely dependent on the polarization of incident light and differ when parallel or perpendicular polarization is considered. Moreover, the absorption coefficient of Sb/Bi HS for perpendicular polarization in the visible region is significantly increased in comparison with the monolayer Antimonene. High structural stability, electronic and mechanical robustness against electric field and strain, along with polarization-dependent optical properties of this HS, promise for its applications in beam splitters and nano-scale mirrors.

show abstract

“…Generally, more negative binding energies mean more stable structures. [ 44 ] It is indicated that the H3 stacking is the most stable conformation. On the other hand, the phonon spectrum of the H3 stacking is also calculated to investigate the dynamical stability and is shown in Figure 3 a.…”

Section: Resultsmentioning

confidence: 99%

Electronic and Optical Properties of the Type‐II GaN/SiH van der Waals Heterostructure: A First‐Principles Study

Lou

et al. 2022

Physica Status Solidi (b)

View full text Add to dashboard Cite

In recent years, constructing van der Waals (vdW) heterostructures based on different 2D materials has been a highly effective way to obtain desired electronic and optical properties. Herein, on the basis of first‐principles calculations, a 2D vdW heterostructure is constructed by vertically stacking the indirect‐bandgap gallium nitride (GaN) and silicane (SiH) monolayers. For the formed heterostructure, the structural, electronic, and optical properties are all computed. The obtained results show that the heterostructure is a direct‐bandgap semiconductor with typical type‐II band alignment. Furthermore, the linearly tunable bandgap, together with the robust type‐II band alignment, can be realized by applying vertical strains or external electric fields. It is also found that both monolayers exhibit the same UV absorption range and the notably enhanced UV absorption is obtained after forming the heterostructure. In particular, the maximum absorptivity can reach to 21.6%. These results are expected to provide useful references for the design of ultraviolet optoelectronic devices based on the 2D GaN/SiH vdW heterostructure.

show abstract

Tunable electronic properties of an Sb/InSe van der Waals heterostructure by electric field effects

Abstract: An Sb/InSe heterostructure manifests a varied direct bandgap under an electric field which is more favorable to FETs and MEMS devices.

Cited by 56 publications

References 48 publications

Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers

Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers

Antimonene/bismuthene vertical Van-der Waals heterostructure: A computational study

Electronic and Optical Properties of the Type‐II GaN/SiH van der Waals Heterostructure: A First‐Principles Study

Contact Info

Product

Resources

About