Related papers: Icosahedra boron chain and sheets: new boron allot…
The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge density wave state is induced through…
Every regular map on a closed surface gives rise to generally six regular maps, its "Petrie relatives", that are obtained through iteration of the duality and Petrie operations (taking duals and Petrie-duals). It is shown that the skeletal…
The Bloch-Horowitz (BH) equation has been successfully applied to calculating the binding energies of the deuteron and 3H/3He systems. For the three-body systems, BH was found to be perturbative for certain choices of the harmonic…
Polyhedra and their arrangements have intrigued humankind since the ancient Greeks and are today important motifs in condensed matter, with application to many classes of liquids and solids. Yet, little is known about the thermodynamically…
The existence of two novel hybrid two-dimensional (2D) monolayers, 2D B3C2P3 and 2D B2C4P2, has been predicted based on the density functional theory calculations. It has been shown that these materials possess structural and thermodynamic…
The binary metal borides provide a promising platform for searching unique materials with superconductivity and super-hardness under high pressure, owing to the distinctive bonding characters of boron. In this work, combined the…
The elastic scattering cross section measured at energies $E\lesssim 10$ MeV/nucleon for some light heavy-ion systems having two identical cores like $^{16}$O+$^{12}$C exhibits an enhanced oscillatory pattern at the backward angles. Such a…
Formation of the complex structure with 16 atoms in the orthorhombic cell, space group Cmca (Pearson symbol oC16) was experimentally found under high pressure in the alkali elements (K, Rb, Cs) and polyvalent elements of groups IV (Si, Ge)…
We model monolayer graphene-like materials with BC$_6$N stoichiometry where the bonding between the B and the N atoms plays an important role for their physical and chemical properties. Two types of BC$_6$N are found based on the BN bonds:…
Single layer core/shell structures consisting of graphene as core and hexagonal boron nitride as shell are studied using first-principles plane wave method within density functional theory. Electronic energy level structure is analysed as a…
The freezing of metal nanoclusters such as gold, silver, and copper exhibits a novel structural evolution. The formation of the icosahedral (Ih) structure is dominant despite its energetic metastability. This important phenomenon, hitherto…
The synthesis, structure, and basic magnetic properties of Na2Co2TeO6 and Na3Co2SbO6 are reported. The crystal structures were determined by neutron powder diffraction. Na2Co2TeO6 has a two-layer hexagonal structure (space group P6322)…
This paper considers the geometry of $E_8$ from a Clifford point of view in three complementary ways. Firstly, in earlier work, I had shown how to construct the four-dimensional exceptional root systems from the 3D root systems using…
We investigate the symmetry of the boron buckyball and a related boron nanotube. Using large-scale ab-initio calculations up to second-order M{\o}ller Plesset perturbation theory, we have determined unambiguously the equilibrium…
The energetic ground state of gold clusters with up to 314 atoms consists of rather complicated geometries that have only a weak resemblance to the perfect icosahedra, decahedra and octahedra that are encountered for some magic numbers. The…
While graphene oxide (GO) is representative of a disordered phase of oxocarbons with lackluster electronic properties, the coexistence of ordered, stoichiometric solid-state carbon oxides with graphene brings renewed momentum to the…
Isolated hydrogen and hydrogen pairs in bulk diamond matrix have been studied using density functional theory calculations. The electronic structure and stability of isolated and paired hydrogen defects are investigated at different…
The purpose of this article is to demonstrate that non-crystallographic reflection groups can be used to build new solvable quantum particle systems. We explicitly construct a one-parametric family of solvable four-body systems on a line,…
We present an evolutionary construction technique of formation energy convex hull to search for thermodynamically stable compounds. In this technique, candidates with a wide variety of chemical compositions and crystal structures are…
We report first principle calculations of electronic and mechanical properties of few-layer borophene with the inclusion of interlayer van der Waals (vdW) interaction. The anisotropic metallic behaviors are preserved from monolayer to…