Related papers: Two and one-dimensional honeycomb structures of si…
An ability of various interatomic potentials to reproduce the properties of silicene (2D silicon) polymorphs were examined. Structural and mechanical properties of the flat (FS), low-buckled (LBS), trigonal dumbbell (TDS), honeycomb…
The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different…
The independent predictions of edge ferromagnetism and the Quantum Spin Hall phase in graphene have inspired the quest of other two dimensional honeycomb systems, such as silicene, germanene, stanene, iridiates, and organometallic lattices,…
We study elementary semiconductors and insulators that are symmetric under spatial inversion: silicon, diamond, germanium, and black phosphorene. These materials are ideal candidates for realizing obstructed atomic insulators, which differ…
The buffer carbon layer obtained in the first instance by evaporation of Si from the Si-rich surfaces of silicon carbide (SiC) is often studied only as the intermediate to the synthesis of SiC supported graphene. In this work, we explore…
We prove that the two-dimensional Schroedinger operator with a potential having the symmetry of a honeycomb structure has dispersion surfaces with conical singularities (Dirac points) at the vertices of its Brillouin zone. No assumptions…
An exact description of $\pi$ electrons based on the tight-binding model of graphene as an alternant, plane macromolecule is presented. The model molecule can contain an arbitrary number of benzene rings and has armchair- and zigzag-shaped…
In addition to the known pseudomagnetic field, nonuniform strains independently induce a position-dependent Fermi velocity (PDFV) in graphene. Here we demonstrate that, due to the presence of a PDFV, the Dirac fermions on a nonuniform…
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…
Zigzag edges of the honeycomb structure of graphene exhibit magnetic polarization making them attractive as building blocks for spintronic devices. Here, we show that devices with zigzag edged triangular antidots perform essential…
We present electronic structure calculations of few-layer epitaxial graphene nanoribbons on SiC(0001). Trough an atomistic description of the graphene layers and the substrate within the extended H\"{u}ckel Theory and real/momentum space…
Principles of design to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides are presented. A charge transfer analysis of donor metal atoms to electron deficient honeycombed B lattices allows to…
We investigate the transport and single particle relaxation times of silicene in the presence of neutral and charged impurities. The static charge conductivity is studied using the semiclassical Boltzmann formalism when the spin-orbit…
We report calculations of the electronic structure of silicene and the stability of its weakly buckled honeycomb lattice in an external electric field oriented perpendicular to the monolayer of Si atoms. We find that the electric field…
The hexagonal phase SrPtAs (s.g. P6/mmm; #194) with a honeycomb lattice structure very recently was declared as a new low-temperature (TC ~ 4.2K) superconductor. Here by means of first-principles calculations the optimized structural…
We report the prediction of metallic quasione-dimensional $sp^{3}$-hybridized silicon allotropes in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon nanotubes of a special type constructed from the…
The epitaxial growth of germanium on silicon leads to the self-assembly of SiGe nanocrystals via a process that allows the size, composition and position of the nanocrystals to be controlled. This level of control, combined with an inherent…
Two-dimensional honeycomb crystals have inspired intense research interest for their novel properties and great potential in electronics and optoelectronics. Here, through molecular beam epitaxy on SrTiO3(001), we report successful…
Graphene, Silicene, $\mathrm{MoS}_2$ and other similar two-dimensional structures have unusual electronic properties that lend themselves to exotic device applications. These properties emanate from the fact that the electrons are endowed…
We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include…