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The efficient optical second-harmonic generation (SHG) of two-dimensional (2D) crystals, coupled with their atomic thickness that circumvents the phase-match problem, has garnered considerable attention. While various 2D heterostructures…
Optical resonances in nanostructures enable strong enhancement of nonlinear processes at the nanoscale, such as second-harmonic generation (SHG), with high-$Q$ modes providing intensified light--matter interactions and sharp spectral…
Two-dimensional (2D) layered materials with diverse properties have attracted significant interest in the past decade. The layered materials discovered so far have covered a wide, yet discontinuous electromagnetic spectral range from…
Two-dimensional electron gases (2DEGs) on the SrTiO3 (STO) surface or in STO-based heterostructures have exhibited many intriguing phenomena, which are strongly dependent on the 2DEG-carrier density. We report that the tunability of the…
Wide bandgap (WBG) semiconductors (Eg >2.0 eV) are integral to the advancement of next generation electronics, optoelectronics, and power industries, owing to their capability for high temperature operation, high breakdown voltage and…
Optical second-harmonic generation (SHG) is a nonlinear parametric process that doubles the frequency of incoming light. Only allowed in non-centrosymmetric materials, it has been widely used in frequency modulation of lasers, surface…
The recent discovery of 2D superconductivity at the interface of BaPbO$_3$ (BPO) and BaBiO$_3$ (BBO) has motivated us to study in depth the electronic and structural properties and the relation between them in this particular…
Second Harmonic Generation (SHG) of single-layer monochalcogenides, such as GaSe and InSe, has been recently reported [2D Mater. 5 (2018) 025019; J. Am. Chem. Soc. 2015, 137, 79947997] to be extremely strong with respect to bulk and…
Two-dimensional election gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. The challenge is to find a material system…
Second harmonic generation (SHG) is a coherent nonlinear phenomenon that plays an important role in laser color conversion. Lithium niobate (LN), which features both a large band gap and outstanding second-order nonlinearities, acts as an…
Second order optical nonlinear processes involve the coherent mixing of two electromagnetic waves to generate a new optical frequency, which plays a central role in a variety of applications, such as ultrafast laser systems, rectifiers,…
Two-dimensional (2D) boron-based materials have gained increasing interest due to their exceptional physicochemical properties and potential technological applications. In this way, borospherenes, a 2D Boron-based fullerene-like lattice…
2D hybrid organic-inorganic semiconductors (HOIS) are low-cost, self-assembled semiconductors that have proven to be vital for novel optoelectronic devices due to their inherent stable excitons even at room temperature. 2D HOIS are…
Few-layer selenium and tellurium films have been recently prepared, and they provide a new platform to explore novel properties of two-dimensional (2D) elemental materials. In this work, we have performed a systematic first-principles study…
Group IV and V monolayers are very crucial 2D materials for their high carrier mobilities, tunable band gaps, and optical linear dichroism. Very recently, a novel group IV-V binary compound, Sn2Bi, has been synthesized on silicon substrate,…
We report a first-principle theoretical study of a monolayer-thick lateral heterostructure (LH) joining two different transition metal dichalcogenides (TMDC): NbS2 and WSe2. The NbS2//WSe2 LH can be considered a prototypical example of a…
Two-dimensional (2D) black phosphorus (i.e., phosphorene) has become a rising star in electronics. Recently, 2D phosphorus oxides with higher stability have been synthesized. In this work, we systematically explore the structures and…
Transition metal dichalcogenides (TMDCs) monolayers, as two-dimensional (2D) direct bandgap semiconductors, hold promise for advanced optoelectronic and photocatalytic devices. Interaction with three-dimensional (3D) metals, like Au,…
The controlled assembly of twisted 2D structures requires precise determination of the crystal orientation of their component layers. In the established procedure, the second-harmonic generation (SHG) intensity of a noncentrosymmetric layer…
Second harmonic generation (SHG), as one of the most significant \c{hi}(2) nonlinear optical processes, plays crucial roles in a broad variety of optical and photonic applications. Designing various delicate schemes to achieve highly…