Related papers: MA$_2$Z$_4$ Family Heteorstructures: Promises and …
Chemical vapor deposition has been most recently employed to fabricate centimeter-scale high-quality single-layer MoSi2N4 (Science; 2020;369; 670). Motivated by this exciting experimental advance, herein we conduct extensive…
The discovery of two-dimensional (2D) layered MoSi$_2$N$_4$ and WSi$_2$N$_4$ without knowing their 3D parents by chemical vapor deposition in 2020 has stimulated extensive studies of 2D MA$_2$Z$_4$ system due to its structural complexity…
Very recently, the two-dimensional (2D) form of MoSi2N4 has been successfully fabricated [Hong et al., Sci. 369, 670 (2020)]. Motivated by theses recent experimental results, herein we investigate the structural, mechanical, thermal,…
The newly emerged two-dimensional (2D) materials family of MSi2N4, where M is a transition metal atom (i.e., Mo, W, etc.), has the potential to be named after the conventional and very popular transition metal di-chalcogenides (TMDC), which…
The recent synthesis of MoSi2N4 material, along with theoretical predictions encompassing the entire family of chemical analogs, has opened up a new array of low-dimensional materials for a diverse range of optoelectronics and photovoltaics…
Recent discovery of ultrathick $\mathrm{MoSi_2N_4(MoN)_n}$ monolayers open up an exciting platform to engineer 2D material properties via intercalation architecture. Here we computationally investigate a series of ultrathick…
We investigated the interlayer coupling effect in homobilayer structures of MSi2X4 with M = Mo/W and X = N/P/As. Through the combination of first-principles calculations and analytical formulations, the equilibrium interlayer distance,…
MA2Z4 monolayers form a new class of hexagonal non-centrosymmetric materials hosting extraordinary spin-valley physics. While only two compounds (MoSi2N4 and WSi2N4) were recently synthesized, theory predicts interesting (opto)electronic…
Based on first-principles calculations, we have investigated the structural stability, electronic structures, and thermal properties of the monolayer XSi2N4 (X= Ti, Mo, W) and their lateral (LH) and vertical heterostructures (VH). We find…
Two-dimensional (2D) semiconductors have attracted tremendous interests as natural passivation and atomically thin channels that could facilitate continued transistor scaling. However, air-stable 2D semiconductors with high performance were…
Two-dimensional (2D) MoSi$_2$N$_4$ monolayer is an emerging class of air-stable 2D semiconductor possessing exceptional electrical and mechanical properties. Despite intensive recent research efforts devoted to uncover the material…
Motivated by the fact that septuple-atomic-layer MnBi$_2$Te$_4$ can be structurally viewed as the combination of double-atomic-layer MnTe intercalating into quintuple-atomic-layer Bi$_2$Te$_3$, we present a general approach of constructing…
MoS2 atomic layers have recently attracted much interest because of their two-dimensional structure as well as tunable optical, electrical, and mechanical properties for next generation electronic and electro-optical devices. Here we have…
For a long time, two-dimensional (2D) hexagonal MoS2 was proposed as a promising material for valleytronic system. However, the limited size of growth and low carrier motilities in MoS2 restrict its further application. Very recently, a new…
The recently experimentally synthesized monolayer $\mathrm{MoSi_2N_4}$ and $\mathrm{WSi_2N_4}$ (\textcolor[rgb]{0.00,0.00,1.00}{Science 369, 670-674 (2020})) lack inversion symmetry, which allows them to become piezoelectric. In this work,…
The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…
Heterostructures play significant roles in modern semiconductor devices and micro/nanosystems in a plethora of applications in electronics, optoelectronics, and transducers. While state-of-the-art heterostructures often involve stacks of…
Advancing complementary metal-oxide-semiconductor (CMOS) technology into the sub-1-nm angstr\"om-scale technology nodes is expected to involve alternative semiconductor channel materials, as silicon transistors encounter severe performance…
The seminal experimental discovery of the remarkably stable MoSi$_2$N$_4$ monolayer has led to a handful of predicted magnetic two-dimensional (2D) materials in the MA$_2$Z$_4$ family (M = transition metals, A = Si, Ge, and Z = N, P, As).…
Two-dimensional (2D) materials van der Waals heterostructures (vdWHs) provides a revolutionary route towards high-performance solar energy conversion devices beyond the conventional silicon-based pn junction solar cells. Despite tremendous…