Related papers: Strain effects on monolayer MoSi2N4: ideal strengt…
Very recently, two-dimensional(2D) boron sheets (borophene) with rectangular structure has been grown successfully on single crystal Ag(111) substrates.The fabricated boroprene is predicted to have unusual mechanical properties. We…
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,…
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…
Motived by experimentally synthesized $\mathrm{MoSi_2N_4}$ (\textcolor[rgb]{0.00,0.00,1.00}{Science 369, 670-674 (2020})), the intrinsic piezoelectricity in monolayer $\mathrm{XSi_2N_4}$ (X=Ti, Zr, Hf, Cr, Mo and W) are studied by density…
Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. Mechanical strain was demonstrated to be able to significantly modify the electronic properties of…
Motivated by the recent successful formation of the MoSi2N4 monolayer [Hong et al., Sci. 369, 670 (2020)], the structural, electronic and magnetic properties of MoSi2N4 nanoribbons (NRs) is investigated for the first time . The band…
We used first-principles calculations to investigate the laterally stitched monolayered MoSi2N4/XSi2N4 (X=W, Ti) 2D heterostructures. The structural stability of such heterostructures is confirmed by the phonon spectra exhibiting no…
Very recently, a new type of two-dimensional layered material MoSi2N4 has been fabricated, which is semiconducting with weak interlayer interaction, high strength, and excellent stability. We systematically investigate theoretically the…
Motivated by the recently synthesized layered material MoSi2N4, we investigated excitonic response of quasiparticle of monolayer MoSi2N4 by using G0W0 and Bethe-Salpeter equation (BSE) calculations. With a dually sandwiched structure…
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,…
In this work, the electrical and spin properties of monolayer MoSi2X4 (X= N, P, As, and Sb) under vertical strain are investigated. The band structures state that MoSi2N4 is an indirect semiconductor, whereas other compounds are direct…
The electronic properties of a field-effect transistor with two different structures of MoSi$_2$N$_4$ and WSi$_2$N$_4$ monolayers as the channel material in the presence of biaxial strain are investigated. The band structures show that…
Experimentally synthesized $\mathrm{MoSi_2N_4}$ (\textcolor[rgb]{0.00,0.00,1.00}{Science 369, 670-674 (2020)}) is a piezoelectric semiconductor. Here, we systematically study the large biaxial (isotropic) strain effects (0.90 to 1.10) on…
The phonon band structure of monolayer MoS2 is characteristic for a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon…
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…
The recently discovered two-dimensional (2D) layered semiconductor MoSi2N4 has aroused great interest due to its unique 2D material characteristics. In this Letter, we found that differences in the structural details for MoSi2N4 may lead to…
Due to the distinguished properties offered by different structural phases of monolayer MoS2, phase engineering design are urgently required for achieving switchable structural phase. Strain engineering is widely accepted as a clean and…
In this study, we systematically investigated the mechanical responses of monolayer molybdenum ditelluride (MoTe2) using molecular dynamics (MD) simulations. The tensile behavior of trigonal prismatic phase (2H phase) MoTe2 under uniaxial…
Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…
We report the influence of uniaxial tensile mechanical strain in the range 0-2.2% on the phonon spectra and bandstructures of monolayer and bilayer molybdenum disulfide (MoS2) two-dimensional crystals. First, we employ Raman spectroscopy to…