Semiconducting Silicene: A Two-Dimensional Silicon Allotrope with Hybrid Honeycomb-Kagome Lattice

Abstract

Silicene is recognized as a promising candidate of two-dimensional (2D) materials replacing bulk silicon in the post-CMOS era, because of its compatibility with silicon-based technologies. However, the Dirac-cone band structure, because of the honeycomb lattice, prevents pristine silicene from being applied as a semiconductor in electronic devices. Here, we propose a 2D-silicon semiconductor by introducing kagome topology into the honeycomb lattice, i.e., a hybrid honeycomb-kagome (hhk) structure that is referenced as hhk-silicene. Our first-principles calculations demonstrate the high geometric stability and excellent semiconducting properties of the hhk-silicene, which opens up an electronic bandgap comparable to that of the bulk silicon and bears an electron mobility as high as that of the honeycomb silicene. By designing a field-effect transistor based on the hhk-silicene, giant negative differential resistance and switching performance fulfilling the requirements of ITRS (International Technology Roadmap for Semiconductors) are predicted. This work opens up the possibility of rational design of 2D-silicon semiconductors by focusing on the topological lattice structures.

Functionalized MoS2 Nanoribbons for Intrinsic Cold-Source Transistors: A Computational Study

“…In terms of Δ E , the value of MoS 2 NR–F converges to be around 0.37 eV, which is much larger than those of MoS 2 NR–H and MoS 2 NR–H–O. Appropriate Δ E can avoid the band misalignment from the source to drain under finite bias . While in the case of too small Δ E , there are no available states in the drain to receive the carriers from the source when applying a large bias.…”

First-Principles-Based Quantum Transport Simulations of High-Performance and Low-Power MOSFETs Based on Monolayer Ga2O3

“…Taking all phonon scattering interactions into consideration, the x-and y-directed electron mobilities are 1210 and 816 cm 2 V −1 s −1 at 300 K, respectively, which are higher than those of InSe (619 cm 2 V −1 s −1 ), 31 InS (257 cm 2 V −1 s −1 ), 31 and hhk-Si (∼10 2 cm 2 V −1 s −1 ) at the same theoretical level, implying the advantage for electronic devices. 32 Figure 2f shows the temperature-dependent electron mobility of ML Ga 2 O 3 ; it can be seen that the electron mobility reduces monotonically with the temperature regardless of the transport direction. The electron mobility decreases from 1890 to 411 cm 2 V −1 s −1 as the temperature increases from 220 to 450 K along the x direction, and the corresponding values along the y direction are 1010 and 504 cm 2 V −1 s −1 , respectively.…”

“…Such carrier concentrationdependent mobility behavior has also been found in other materials with polar LO phonons, such as bulk β-Ga 2 O 3 , as well as 2D hhk-Si. 32,35 3.2. Structure of ML Ga 2 O 3 MOSFET.…”

“…Figure 4a,b shows the on-current comparisons of ML Ga 2 O 3 and other 2D materials-based n-MOSFETs under the same DFT coupled with the NEGF theory framework. The on-current of ML Ga 2 O 3 MOSFETs with L g ranging 4−7 nm is overwhelming compared with other typical 2D materials for HP application, such as hhk-Si, 32 MoS 2 , 39 Bi 2 O 2 Se, 46 tellurene, 47 Cs 2 PbI 4 , 48 and InSe. 49 For LP application, the x-directed ML Ga 2 O 3 MOSFETs with L g = 5 nm shows superior on-current than ReS 2 40 and InSe.…”

Emergence of quantum spin frustration in spin-1/2 Ising-Heisenberg model on a decorated honeycomb lattice

“…Based on first-principles calculations, was predicted a potential candidate of 2D half-metals, named monolayer Mg 3 Si 2 [8], which has a honeycomb-kagomé lattice pattern. Also proposed was a 2D-silicon semiconductor by introducing kagomé topology into a honeycomb lattice, i.e., a hybrid honeycomb-kagomé(hhk) structure [9], which demonstrates high geometric stability and excellent semiconducting properties of the hhksilicene. Other theoretical investigations on honeycombkagomé lattice appear in a variety of compounds, such as 2D honeycomb-kagomé Be 3 Pb 2 [10].…”