Related papers: On the Origin of the Second-Order Nonlinearity in …
Planar chiral structures possess a two dimensional handedness that is associated with broken mirror symmetry. Such motifs span vast length scales; examples include certain pinwheel molecules, nautilus shells, cyclone wind patterns and…
It is widely accepted that the properties of most semiconductor nanocrystals can be tuned by their core size, shape and material. In covalent semiconductor nanocrystal materials, such as silicon, germanium or carbon, certain degree of…
Diode effects are of great interest for both fundamental physics and modern technologies. Electrical diode effects (nonreciprocal transport) have been observed in Weyl systems. Optical diode effects arising from the Weyl fermions have been…
We designed ordered and disordered silicon (Si) nanowire structures and analyzed their optical performance using the finite-difference time-domain (FDTD) technique. We studied the orderness of nanowire structures by calculating scalar…
Systematic exploration of amorphous ABC heterostructures revealed that nanoscale morphological modifications markedly improved their artificial bulk second-order susceptibility. These amorphous birefringent heterostructures were fabricated…
We study theoretically effects of an anisotropic elastic strain on the exciton energy spectrum fine structure and optical selection rules in atom-thin crystals based on transition-metal dichalcogenides. The presence of strain breaks the…
Strain engineering offers unique control to manipulate the electronic band structure of two-dimensional materials (2DMs) resulting in an effective and continuous tuning of the physical properties. Ad-hoc straining 2D materials has…
Effective mass anomalies due to the geometrical effects are investigated in silicon nanostructures using first-principles calculations for the first time. In \{111\} and \{110\} biaxially strained Si, it is found that longitudinal effective…
The phenomena of crystal size changes and structural phase transitions induced by light irradiation have garnered significant interest due to their potential for tuning and controlling a wide range of material properties through highly…
Two-dimensional (2D) materials have attracted considerable attention due to their unique physicochemical properties and significant potential in energy-related applications. Polymeric carbon nitrides (PCNs) with 2D stacked architecture show…
Strain engineering is a versatile method to boost the carrier mobility of two-dimensional materials-based electronics and optoelectronic devices. In addition, strain is ubiquitous during device fabrication via material deposition on a…
Nonlinear spin polarization occurring in the second order of driving electric current is the dominant source of nonequilibrium magnetization in centrosymmetric or weakly noncentrosymmetric nonmagnetic materials, and induces nonlinear…
Silicon nitride (SiN) has emerged as a promising platform for integrated nonlinear photonics because of its low propagation loss, wide transparency window, and CMOS compatibility. Nonlinear processes arising from photon-electron…
Chirality-induced spin selectivity (CISS) generates spin-polarized currents in nonmagnetic materials from structural chirality alone, yet its microscopic origin remains debated. Using a first-principles spatiotemporal density-matrix…
Ferroelectric nitrides have emerged as promising semiconductor materials for modern electronics. However, their domain structures and associated properties are basically unknown, despite their potential to result in optimized or new…
Multiferroic materials, in which electric polarization and magnetic order coexist and couple, offer rich opportunities for both fundamental discovery and technology. However, multiferroicity remains rare due to conflicting electronic…
The perovskite oxynitride LaTiO\textsubscript{2}N is a promising material for photocatalytic water splitting under visible light. One of the obstacles towards higher efficiencies of this and similar materials stems from charge-carrier…
Integrated photonic devices made of silicon nitride (SiN), which can be integrated with silicon-on-insulator and III-V platforms, are expected to drive the expansion of silicon photonics technology. However, the relatively low refractive…
Flexoelectricity induced by strain gradient in dielectrics is highly desirable for electromechanical actuating and sensing systems. It is broadly adopted that flexoelectric polarization responds linearly to strain gradient without…
Dynamic second-order nonlinear susceptibilities, $\chi^{(2)}(2\omega,\omega,\omega)\equiv \chi^{(2)}(\omega)$, are calculated here within a fully first-principles scheme for monolayered molybdenum dichalcogenides, $2H$-MoX$_2$ (X=S,Se,Te).…