Related papers: Spontaneous Symmetry Breaking and Strong Deformati…
Graphene has received a great deal of attention and this has more recently extended to boron nitride sheets (BNS) with a similar structure. Both have hexagonal lattices and it is only the alternation of atoms in boron nitride, which changes…
We show that adsorption of one lithium atom to a polyacenes, i.e. chains of linearly fused benzene rings, will cause this chain to be slightly deformed. If we adsorb a second identical atom on the opposite side of the same ring, this…
We study the spontaneous symmetry breaking due to adsorption of Lithium atoms on polyacenes and aromatic molecules consistent on carbon rings with edges closed by bond of hydrogen atoms. Hartree Fock and DFT calculations were made for…
We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. We found that the spectra of the vibrational modes…
Spontaneous symmetry-breaking, where the ground state of a system has lower symmetry than the underlying Hamiltonian, is ubiquitous in physics. It leads to multiply-degenerate ground states, each with a different "broken" symmetry labeled…
The magneto-optical absorption properties of graphene multilayers are theoretically studied. It is shown that the spectrum can be decomposed into sub-components effectively identical to the monolayer or bilayer graphene, allowing us to…
In graphene growth, island symmetry can become lower than the intrinsic symmetries of both graphene and the substrate. First-principles calculations and Monte Carlo modeling explain the shapes observed in our experiments and earlier studies…
The ability to identify and characterize spontaneous symmetry breaking is central to our understanding of 2D materials with strong correlation, such as the moir\'e flat bands in magic-angle twisted graphene bilayer and trilayer. In this…
Meyer et al (2007) found that free-standing graphene sheets, just one atom thick, display spontaneous ripples. The ripples are of order 2-20 {\AA} high and 20-200 {\AA} wide. The sheets in which they appear are only one atom thick, and…
The process of hydrogen desorption from graphane (graphene sheet saturated by hydrogen adsorbed from both sides) has been studied using the method of molecular dynamics. The temperature dependences of the time of desorption onset for…
The effect of increased electron-density (from adsorbed Li atoms) in polyacenes and in nano-ribbons with zig-zag edge is discussed in terms of resonance theoretical considerations and in terms edge-localized frontier molecular orbitals. The…
Misoriented bilayer graphene with commensurate angles shows unique magneto-optical properties. The optical absorption spectra of such a system strongly depend on the angle of rotation. For a general commensurate twist angle the absorption…
A recently reported symmetry breaking of density profiles of fluid argon confined by two parallel solid walls of carbon dioxide is studied. The calculations are performed in the framework of a nonlocal density functional theory. It is shown…
Structurally distorting low-dimensional {\pi}-conjugated systems can profoundly influence their electronic properties, but controlling such behavior in extended-width systems remains challenging. Here we demonstrate that a one-dimensional…
The ability of metal adsorption to transfer charge to the surface of single molecular carbon sheets is explored in this paper. Though other metals are considered we basically will deal with Lithium We concentrate on fairly small sheets and…
We model optical absorption of monolayer and bilayer graphene on hexagonal boron nitride for the case of closely-aligned crystal lattices. We show that perturbations with different spatial symmetry can lead to similar absorption spectra. We…
The interaction between two chemically identical charge-regulated surfaces is studied using the classical density functional theory. In contrast to common expectations and assumptions, under certain realistic conditions we find a…
Though weak surface interactions and adsorption can play an important role in plasma processing and materials science, they are not necessarily simple to model. A boron adatom adsorbed on a graphene sheet serves as a case study for how…
Using first-principles Density Functional Theory calculations, we showed that electronic and magnetic properties of bare and Ti adatom adsorbed single-layer silicene and germanene, which are charged or exerted by a perpendicular electric…
In this article we briefly review recent experimental and theoretical work on quantum Hall effect in graphene, and argue that some of the quantum Hall states exhibit spontaneous symmetry breaking that is driven by electron-electron…