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Bilayer graphene is a recently isolated and intriguing class of many-body systems with massive chiral quasiparticles. We present theoretical results for the electronic compressibility of bilayer graphene that are based on a four-band…
Controlling the stacking and rotational registry of graphene layers provides a powerful handle on atomic-scale structural reconstructions that alter the electronic landscape at the nanoscale. In particular, this governs how massless and…
The electronic structure of the recently synthesised (3x3) reconstructed silicene on (4x4) Ag(111) is investigated by first-principles calculations. New states emerge due to the strong hybridization between silicene and Ag. Analyzing the…
Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions and chemical composition. Here we present a route to control these properties via externally…
We fabricate freely suspended nanosheets of MoS2 which are characterized by quantitative optical microscopy and high resolution friction force microscopy. We study the elastic deformation of freely suspended nanosheets of MoS2 using an…
Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. Mechanical strain was demonstrated to be able to significantly modify the electronic properties of…
We investigate theoretically the interplay between the effects of a perpendicular electric field and incommensurability at the interface on the electronic properties of a heterostructure of bilayer graphene and a semiconducting substrate…
Static friction induced by moir\'e superstructure in twisted incommensurate finite layered material interfaces reveals unique double periodicity and lack of scaling with contact size. The underlying mechanism involves compensation of…
Silicene is a honeycomb-structure silicon atoms, which shares many intriguing properties with graphene. Silicene is expected to be a quantum spin-Hall insulator due to its spin-orbit interactions. We investigate the electronic properties of…
The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…
Successful isolation of graphene from graphite opened a new era for material science and con- densed matter physics. Due to this remarkable achievement, there has been an immense interest to synthesize new two dimensional materials and to…
Different stacking sequences of graphene are investigated using a combination of experimental and theoretical methods. The high-resolution transmission electron microscopy (HRTEM) of the stacking sequence of several layers of graphene,…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…
We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is…
Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz…
Misfit compounds are thermodynamically stable stacks of two-dimensional materials, forming a three-dimensional structure that remains incommensurate in one direction parallel to the layers. As a consequence, no true bonding is expected…
The k-projection method provides an approach to separate the contributions from different constituents in heterostructure systems and can act as an aid to connect the results of experiments and calculations. We show that the technique can…
Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…
By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the…
Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work function and band alignment and carrier effective mass. It is found that few-layer…