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The search for topological semimetals is mainly focused on heavy-element compounds as following the footsteps of previous research on topological insulators, with less attention on light-element materials. However, the negligible spin orbit…
Research of the nonlinear optical characteristics of transition metal dichalcogenides in the presence of photoactive particles, plasmonic nanocavities, waveguides, and metamaterials is still in its early stages. This investigation delves…
Second harmonic (SH) radiation can only be generated in non-centrosymmetric bulk crystals under the electric-dipole approximation. Nonlinear thin films made from bulk crystals are technologically challenging because of complex and high…
Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO$_{3}$ (BSO). ACBN0 computations for BSO/SrNbO$_{3}$ (SNO) interfaces show…
Second-harmonic generation (SHG) is a second-order nonlinear optical process that is not allowed in media with inversion sym-metry. However, due to the broken symmetry at the surface, surface SHG still occurs, but is generally small. We…
Second-order nonlinearity in solids gives rise to a plethora of unique physical phenomena ranging from piezoelectricity and optical rectification to optical parametric amplification, spontaneous parametric down-conversion, and the…
A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-layer materials in C, Si, Ge, Sn, and Pb were predicted. A…
Little is known about the role of weak interlayer coupling in the second harmonic generation (SHG) effects of two-dimensional van der Waals (vdW) systems. In this article, taking homo-bilayer $MoS_2/MoS_2$ and hetero-bilayer $MoS_2/MoSe_2$…
The bandgap dependence on the number of atomic layers of some families of 2D-materials, can be exploited to engineer and use lateral heterostructures (LHs) as high-performance Field-Effect Transistors (FET). This option can provide very…
We have investigated second harmonic generation (SHG) from Ag-coated LiNbO3 (LN) core-shell nanocuboids and found that giant SHG can occur via deliberately designed double plasmonic resonances. By controlling the aspect ratio, we can tune…
2D-layered tin (II) oxide (SnO) has recently emerged as a promising bipolar channel material for thin-film transistors and complementary metal-oxide-semiconductor devices. In this work, we present a first-principles investigation of the…
The prospect of 2-dimensional electron gases (2DEGs) possessing high mobility at room temperature in wide-bandgap perovskite stannates is enticing for oxide electronics, particularly to realize transparent and high-electron mobility…
The second-order nonlinear optical (NLO) processes, such as the photogalvanic effect and second-order harmonic generation (SHG), play crucial roles in probing and controlling light-matter interactions for energy and device applications. To…
Metasurfaces have long served as a cornerstone technique to enhance nonlinear processes, enabling frequency conversion, efficient light manipulation and integrated photonic devices. However, traditional bulk materials often suffer from high…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
Monolayer transition metal dichalcogenides (e.g., MoS2) exhibit exceptionally large optical nonlinearities for high-order nonlinear light generation (NLG), yet their inherent atomic thickness fundamentally limits light-matter interactions…
While it is known that the double-layer Bi$_2$Sr$_2$CaCu$_2$O$_{8+y}$ (BSCCO) cuprate superconductor exhibits a one-dimensional (1D) incommensurate superlattice (IS), the effect of IS on the electronic structure remains elusive. Following…
We report the observations of unexpected layer-dependent, strong, and anisotropic second harmonic generations (SHGs) in atomically thin ReS2. Appreciable (negligible) SHGs are obtained from even (odd) numbers of ReS2 layers, which is…
Nonlinear optical phenomena in nanostructured materials have been challenging our perceptions of nonlinear optical processes that have been explored since the invention of lasers. For example, the ability to control optical field…
Within the past few years, atomically thin black phosphorus (BP) has been demonstrated as a fascinating new 2D material that is promising for novel nanoelectronics and nanophotonics applications, due to its many unique properties such as…