Related papers: Hybrid excitations at the interface between a MoS$…

Li2GeO3, a ternary electrolyte compound of Li+-based battery, presents the unusual essential properties. The main features are thoroughly explored from the first-principles calculations. The concise pictures, the critical orbital…

The performance of an organic-semiconductor device is critically determined by the geometric alignment, orientation, and ordering of the organic molecules. While an organic multilayer eventually adopts the crystal structure of the organic…

Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their simplex components. Here, first-principles calculations are performed to study the…

Controlling the electronic properties of interfaces has enormous scientific and technological implications and has been recently extended from semiconductors to complex oxides which host emergent ground states not present in the parent…

Interface of transition metal dichalcogenide (TMDC) and high-k dielectric transition metal oxides (TMO) had triggerred umpteen discourses due to the indubitable impact of TMO in reducing the contact resistances and restraining the…

Excitons, quasi particles composed of an electron and a hole, play an important role in optical responses in low-dimensional nanostructures. In this work, we have investigated exciton diffusion in a monolayer MoSe2 encapsulated between…

Excitons, or bound electron-hole pairs, play a crucial role in the optical response of monolayer, 2H-phase transition-metal dichalcogenides (TMDs). They hold significant promise for the development of novel quantum opto-electronic devices…

Moir\'e superlattices open an unprecedented opportunity for tailoring interactions between quantum particles and their coupling to electromagnetic fields. Strong superlattice potential generates moir\'e minibands of excitons -- bound pairs…

Two-dimensional (2D) MXenes are a rapid growing family of 2D materials with rich physical and chemical properties where their surface termination plays an essential role. Among the various 2D MXenes, functionalization of the…

Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…

We study ground-state phase diagrams and excitation spectra of Bose-Bose mixtures in an optical lattice by applying the Gutzwiller approximation to the two-component Bose-Hubbard model. A case of equal hoppings and equal intra-component…

Van der Waals heterostructures usually formed using atomic thin transition metal dichalcogenides (TMDCs) with a direct bandgap in the near-infrared to the visible range are promising candidates for low-dimensional optoelectronic…

To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new physical phenomena and to design novel functionalities in…

The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…

We investigate polariton-phonon hybrid excitations, which describe the collective excitations of emitter-photon polaritons and vibrational phonons, in a periodic array of vibrating two-level emitters interacting with waveguide photons. We…

The interface chemistry of silicon nanocrystals (NCs) embedded in amorphous oxide matrix is studied through molecular dynamics simulations with the chemical environment described by the reactive force field model. Our results indicate that…

The polarization analysis of optical transitions in monolayer and bilayer transition-metal dichalcogenides provides invaluable information on the spin and valley (pseudospin) degrees of freedom. To explain optical properties of a given…

Two-dimensional (2D) semiconductors are promising material candidates for next-generation nanoelectronics. However, there are fundamental challenges related to their metal-semiconductor (MS) contacts which limit the performance potential…

In this work, we report our results on the geometric and electronic properties of hybrid graphite-like structure made up of silicene and boron nitride (BN) layers. We predict from our calculations that this hybrid bulk system, with…

Bismuth oxide iodide (BiOI) has been viewed as a suitable environmentally-friendly alternative to lead-halide perovskites for low-cost (opto-)electronic applications such as photodetectors, phototransistors and sensors. To enable its…