Related papers: Electrically Tunable Band Gap in Antiferromagnetic…
Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…
DFT calculations of the electronic structure of graphane and stoichiometrically halogenated graphene derivatives (fluorographene and other analogous graphene halides) show (i) localized orbital basis sets can be successfully and effectively…
With exceptional electrical and mechanical properties and at the same time air-stability, layered MoSi2N4 has recently draw great attention. However, band structure engineering via strain and electric field, which is vital for practical…
Tailoring electron transfer dynamics across solid-liquid interfaces is fundamental to the interconversion of electrical and chemical energy. Stacking atomically thin layers with a very small azimuthal misorientation to produce moir\'e…
Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…
We theoretically study the effects of electron-electron interaction in twisted bilayer graphene in applied transverse dc electric field. When the twist angle is not very small, the electronic spectrum of the bilayer consists of four Dirac…
We explore the device potential of tunable-gap bilayer graphene FET exploiting the possibility of opening a bandgap in bilayer graphene by applying a vertical electric field via independent gate operation. We evaluate device behavior using…
When using hexagonal boron-nitride (hBN) as a substrate for graphene, the resulting moir\'e pattern creates secondary Dirac points. By encapsulating a multilayer graphene within aligned hBN sheets the controlled moir\'e stacking may offer…
The atomic and electronic structure of a set of pristine single wall SiC nanotubes as well as Si-substituted carbon nanotubes and a SiC sheet was studied by the LDA plane wave band structure calculations. Consecutive substitution of carbon…
We report on a double moir\'e system consisting of four graphene layers, where the top and bottom pairs form small-twist-angle bilayer graphene, and the middle interface has a large rotational mismatch. This system shows clear signatures of…
Bilayer graphene is a highly promising material for electronic and optoelectronic applications since it is supporting massive Dirac fermions with a tuneable band gap. However, no consistent picture of the gap's effect on the optical and…
We investigated the temperature-dependent evolution of the electronic structure of the Jeff,1/2 Mott insulator Sr2IrO4 using optical spectroscopy. The optical conductivity spectra $\sigma(\omega)$ of this compound has recently been found to…
Bandgap control is of central importance for semiconductor technologies. The traditional means of control is to dope the lattice chemically, electrically or optically with charge carriers. Here, we demonstrate for the first time a widely…
Materials with in-plane electrical anisotropy have great potential for designing artificial synaptic devices. However, natural materials with strong intrinsic in-plane electrical anisotropy are rare. We introduce a simple strategy to…
Crystalline two-dimensional (2D) semiconductors often combine high elasticity and in-plane strength, making them ideal for strain-induced tuning of electronic characteristics, akin to strategies used in silicon electronics. However,…
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…
We performed a first-principles study of the electronic behavior of a 2D hexagonal boron phosphide monolayer (2D-h-BP). The system was deformed isotropically by applying a simultaneous tensile strain along the a and b crystal axes. We…
In the emerging world of twisted bilayer structures, the possible configurations are limitless, which enables for a rich landscape of electronic properties. In this paper, we focus on twisted bilayer transition metal dichalcogenides (TMDCs)…
Emergent quantum phenomena in two-dimensional van der Waal (vdW) magnets are largely governed by the interplay between the exchange and Coulomb interactions. The ability to tune the Coulomb interaction in such strongly correlated materials…
Modification of graphene to open a robust gap in its electronic spectrum is essential for its use in field effect transistors and photochemistry applications. Inspired by recent experimental success in the preparation of homogeneous alloys…