Related papers: Interlayer electronic hybridization leads to excep…
Low-dimensional systems based on black phosphorus (BP) have recently attracted much interest. Since the crystal structure of BP consists of 2D layers with a strong in-plane anisotropy, its electronic properties at a high magnetic field…
Black phosphorus stands out from the family of two-dimensional materials as a semiconductor with a direct, layer-dependent bandgap in energy corresponding to the spectral range from the visible to the mid-infrared (mid-IR), as well as many…
Two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides have attracted great attention because of the rich physics and potential applications in next-generation nano-sized electronic devices. Recently,…
Black phosphorus (BP) offers considerable promise for infrared and visible photonics. Efficient tuning of the bandgap and higher subbands in BP by modulation of the Fermi level or application of vertical electric fields has been previously…
Using diffusion Monte Carlo (DMC) and density functional theory (DFT) calculations, we examined the structural stability and interlayer binding properties of PtSe$_2$, a representative transition metal dichalcogenide (TMD) with strong…
Interlayer coupling plays a critical role in van der Waals materials by governing lattice stability and emergent quantum phases, yet its impact on few-layer hexagonal CoTe$_2$ remains unclear. Here, using first-principles calculations, we…
Twisted 2D layered materials have garnered a lot of attention recently as a class of 2D materials whose interlayer interactions and electronic properties are dictated by the relative rotation / twist angle between the adjacent layers. In…
In this work, we study structural and vibrational properties of multilayer graphene using density-functional theory (DFT) with van der Waals (vdW) functionals. Initially, we analyze how different vdW functionals compare by evaluating the…
Few-layer black phosphorus (FLBP), a recently discovered two-dimensional semiconductor, has attracted substantial attention in the scientific and technical communities due to its great potential in electronic and optoelectronic…
The discovery of graphene triggered a rapid rise of unexplored two-dimensional materials and heterostructures having optoelectronic and photonics properties that can be tailored on the nanoscale. Among these materials, black phosphorus (BP)…
Negative compressibility generated by many-body effects in 2D electronic systems can enhance gate capacitance. We observe capacitance enhancement in a newly emerged 2D layered material, atomically thin black phosphorus (BP). The…
The degree of electronic coupling between individual layers in few-layer van der Waals heterostructures offers a route to engineer their magnetic, electronic, and optical functionalities. Using state-of-the-art first-principles…
Combining both vertical and in-plane two-dimensional (2D) heterostructures opens up the possibility to create an unprecedented architecture using 2D atomic layer building blocks. The thermal transport properties of such mixed…
Phonon polaritons (PhPs) -- lattice vibrations coupled to electromagnetic fields -- in highly anisotropic media display a plethora of intriguing optical phenomena (including ray-like propagation, anomalous refraction, and topological…
The emergence of phonon frequency combs exemplifies a rare and intriguing phenomenon in quantum solids. Materials with distinctive phonon band structures are especially promising for hosting such states, as their vibrational dispersion…
Ultrafast charge separation after photoexcitation is a common phenomenon in various van-der-Waals (vdW) heterostructures with great relevance for future applications in light harvesting and detection. Theoretical understanding of this…
Van der Waals heterostructures have become a rapidly growing field in condensed matter research, offering a platform to engineer novel quantum systems by stacking different two-dimensional (2D) materials. A diverse range of material…
We investigate the electro-optic properties of black phosphorus (BP) thin films for optical modulation in the mid-infrared frequencies. Our calculation indicates that an applied out-of-plane electric field may lead to red-, blue-, or…
The electronic structure and functionality of 2D materials is highly sensitive to structural morphology, opening the possibility for manipulating material properties, but also making predictable and reproducible functionality challenging.…
Graphene and other two-dimensional crystals can be combined to form various hybrids and heterostructures, creating materials on demand, in which the interlayer coupling at the interface leads to modified physical properties as compared to…