Related papers: Electric field induced gap modification in ultrath…
We propose a general theory of anisotropic band flattening in moir\'e systems at the $\Gamma$ valley. For a two-dimensional semiconductor with a rectangular unit cell of $C_{2z}$ or mirror symmetries, we find that a larger effective mass…
Using the first principles calculations, we show that mechanically tunable electronic energy gap is realizable in bilayer graphene if different homogeneous strains are applied to the two layers. It is shown that the size of energy gap can…
Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning…
In this study, we consider a two-layer graphene structure stacked in the AA form and exposed to the influence of two different electric fields applied to different layers. The graphene layers are also subjected to an external magnetic field…
Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…
We investigated a suspended bilayer graphene where the bottom (top) layer is doped by boron (nitrogen) substitutional atoms by using Density Functional Theory (DFT) calculations. We found that at high dopant concentration (one B-N pair…
We performed density functional theory calculations with self-consistent van der Waals corrected exchange-correlation (XC) functionals to capture the structure of black phosphorus and twelve monochalcogenide monolayers and find the…
Bilayer graphene (BLG) with a tunable bandgap appears interesting as an alternative to graphene for practical applications, thus its transport properties are being actively pursued. Using density functional theory and perturbation analysis,…
A drastic modification of electronic band structure is predicted in bilayer graphene when it is placed between two ferromagnetic insulators. Due to the exchange interaction with the proximate ferromagnet, the electronic energy dispersion in…
We report the quasiparticle band gap, excitons, and highly anisotropic optical responses of few-layer black phosphorous (phosphorene). It is shown that these new materials exhibit unique many-electron effects; the electronic structures are…
The electronic band structure of atomically thin semiconductors can be tuned by the application of a perpendicular electric field. The principle was demonstrated experimentally shortly after the discovery of graphene by opening a finite…
We investigate the energy bands, magnetism, and superconductivity of bilayer octagraphene with A-A stacking under a perpendicular electric field. A tight-binding model is used to analyze the band structure of the system. The doubling of the…
We theoretically investigate effect of a transverse electric field generated by side gates and a vertical electric field generated by top, back gates on energy bands and transport properties of zigzag bilayer graphene ribbons (Bernal…
We investigate the electronic spectra and quantum Hall effect in twisted bilayer graphenes with various rotation angles under magnetic fields, using a model rigorously including the interlayer interaction. We describe the spectral evolution…
Twisted bilayer graphene (tBLG) provides a fascinating platform for engineering flat bands and inducing correlated phenomena. By designing the stacking architecture of graphene layers, twisted multilayer graphene can exhibit different…
The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge density wave state is induced through…
We report the influence of uniaxial tensile mechanical strain in the range 0-2.2% on the phonon spectra and bandstructures of monolayer and bilayer molybdenum disulfide (MoS2) two-dimensional crystals. First, we employ Raman spectroscopy to…
We study how the electronic structure of the bilayer graphene (BLG) is changed by electric field and strain from {\it ab initio} density-functional calculations using the LMTO and the LAPW methods. Both hexagonal and Bernal stacked…
In this paper we present a thorough first-principles based density functional theory study of the structural stability, electronic, magnetic, and optical properties of pristine and doped gallium phosphide (GaP) monolayers. The pristine GaP…
A lattice mismatch between Van der Waals layers produces a moir\'e pattern and a subsequent electron band reconstruction. When the bilayer is charged, the sliding motion of one layer with respect to the other produces electric pumping. Here…