Related papers: Direct evidences of pentagonal silicon chains and …
The microscopic structure of the high-index Si$(331)-(12\times1)$ surface is investigated combining scanning tunneling microscopy with ab initio calculations. We present a structural model of the Si(331) surface, employing a reconstruction…
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our results show that nanowires of different types of elements,…
We propose a promising two-dimensional nano-sheet of SiC2 (SiC2-pentagon) consisting of tetrahedral silicon atoms and triple-linked carbon atoms in a fully-pentagon network. The SiC2-pentagon with buckled configuration is more favorable…
We reveal through extensive DFT calculations, confronted to key experimental facts, the hidden penta-silicene nature of single and double strand chiral Si nanoribbons perfectly aligned on Ag(110) surfaces, that were discovered in 2005, but…
Most two-dimensional (2D) materials experimentally studied so far have hexagons as their building blocks. Only a few exceptions, such as PdSe2, are lower in energy in pentagonal phases and exhibit pentagons as building blocks. While theory…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…
Carbon, the basic building block of our universe, enjoys a vast number of allotropic structures. Owing to its bonding characteristic, most carbon allotropes possess the motif of hexagonal rings. Here, with first-principles calculations, we…
We formulate the pentagon relation for quantum dilogarithm elements in the structure group of a quantum cluster scattering diagram (QCSD). As an application, we show the nonpositivity of a certain class of nonskew-symmetric QCSDs. Also, we…
Using empirical scheme, atomic structure of a new exotic class of silicon nanoclusters was elaborated upon the central icosahedral core (Si-IC) and pentagonal petals (Si-PP) growing from Si-IC vertexes. It was shown that Si-IC/Si-PP…
In contrast to many known results concerning periodic tilings of the Euclidean plane with pentagons, here tilings with rotational symmetry are investigated. A certain class of convex pentagons is introduced. It can be shown that for any…
We use first principles simulations to investigate the electronic properties of a set of carbon nanocages with a bipartite structure. These nanocages are exclusively formed by hexagonal and tetragonal rings and we show they feature frontier…
We analytically calculate one-loop five-point Master Integrals, \textit{pentagon integrals}, with up to one off-shell leg to arbitrary order in the dimensional regulator in $d=4-2\epsilon$ space-time dimensions. A pure basis of Master…
Silicon (Si) is one of the most extensively studied materials owing to its significance to semiconductor science and technology. While efforts to find a new three-dimensional (3D) Si crystal with unusual properties have made some progress,…
GaP/Si(100) is considered as pseudomporphic virtual substrate for III/V-on-Si integration in order to reduce defects related to polar-on-nonpolar heteroepitaxy. The atomic structure of the GaP/Si(100) heterointerface is decisive to yield…
Silicon is an excellent material for microelectronics and integrated photonics with untapped potential for mid-IR optics. Despite broad recognition of the importance of the third dimension, current lithography methods do not allow…
The universal building block which is an essential part of all atomic structures on (1 1 0) silicon and germanium surfaces and their vicinals is proposed from first-principles calculations and a comparison of results with available…
Recently, significant research efforts have been made to develop complex nanostructures to provide more sophisticated control over the optical and electronic properties of nanomaterials. However, there are only a handful of semiconductors…
Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…
We have located the global minimum for all lead clusters with up to 160 atoms using a glue potential to model the interatomic interactions. The lowest-energy structures are not face-centred cubic as suggested previously. Rather, for N<40…
We consider a pentagon chain described by a Hubbard type of model considered under periodic boundary conditions. The system i) is placed in an external magnetic field perpendicular to the plane of the cells, and ii) is in a site selective…