Related papers: Probing the uniaxial strains in MoS$_2$ using pola…
Since de discovery of graphene, the family of 2-dimensional materials has attracted much recent attention. In this work, the nonlinear optical properties of few-layer MoS2 two-dimensional crystals are studied using femtosecond laser pulses.…
We present a first-principles machine-learning computational framework to investigate anharmonic effects in polarization-orientation (PO) Raman spectra of molecular crystals, focusing on anthracene and naphthalene. By combining machine…
Anisotropic materials with low symmetries hold significant promise for next-generation electronic and quantum devices. 2M-WS2, a candidate for topological superconductivity, has garnered considerable interest. However, a comprehensive…
We report a systematic study of the etching of MoS2 crystals by using XeF2 as a gaseous reactant. By controlling the etching process, monolayer MoS2 with uniform morphology can be obtained. The Raman and photoluminescence spectra of the…
Molybdenum disulfide, MoS2, has recently gained considerable attention as a layered material where neighboring layers are only weakly interacting and can easily slide against each other. Therefore, mechanical exfoliation allows the…
The dominant phonon wavevectors $q^{*}$ probed by the 2D Raman mode of graphene are highly anisotropic and rotate with the orientation of the polarizer:analyzer direction relative to the lattice. The corresponding electronic transitions…
Within a two-band $k\cdot p$ method we analyze different types of strain for the $K$ valley optical characteristics of a freestanding monolayer MoS$_2$, MoSe$_2$, WS$_2$ and WSe$_2$. We predict that circular polarization selectivity for…
Bernal- and non-Bernal-stacked graphene layers have been systematically studied by Raman imaging and spectroscopy. Two dominant Raman modes, G and G' (or 2D) of folded graphene layers exhibit three types of spectral features when interlayer…
In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of…
Polarized Raman scattering and infrared reflection spectra of hexagonal HoMnO$_3$ single crystals in the temperature range 10-300 K are reported. Group-theoretical analysis is performed and scattering selection rules for the second order…
We study by Raman scattering the shear and layer breathing modes in multilayer MoS2. These are identified by polarization measurements and symmetry analysis. Their positions change with the number of layers, with different scaling for odd…
Terahertz Raman spectroscopy was performed on high-mobility organic single-crystal semiconductors, by which the phonon energy at the Gamma point was qualified as a function of external uniaxial strain. The observation of peak shifts in…
The effect of strain on the magnetic order and band structure of single-layer CrAsS$_4$ has been investigated by first-principles calculations based on density functional theory. We found that single-layer CrAsS$_4$ was an antiferromagnetic…
We report ab-initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman active modes, A1g and E2g as a function of the number of layers.…
We report a comprehensive study of the two-phonon inter-valley (2D) Raman mode in graphene monolayers, motivated by recent reports of asymmetric 2D-mode lineshapes in freestanding graphene. For photon energies in the range $1.53 \rm eV -…
Janus transition metal dichalcogenides (TMDs) lose the horizontal mirror symmetry of ordinary TMDs, leading to the emergence of additional features, such as native piezoelectricity, Rashba effect, and enhanced catalytic activity. While…
We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M=Mo, W, Sn, Hf and X=S, Se, Te) with 2H and 1T structures using fully relativistic first principles calculations based on density…
Herein, we demonstrate that first-principles calculations can be used for mapping electronic properties of two-dimensional (2d) materials with respect to non-uniform strain. By investigating four representative single-layer 2d compounds…
Since their discovery single-layer semiconducting transition metal dichalcogenides have attracted much attention thanks to their outstanding optical and mechanical properties. Strain engineering in these two-dimensional materials aims to…
We systematically study the high-resolution and polarized Raman spectra of multilayer (ML) MoTe2. The layer-breathing (LB) and shear (C) modes are observed in the ultralow-frequency region, which are used to quantitatively evaluate the…