Related papers: The Boron Buckyball has an Unexpected Th Symmetry
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…
We report the electronic structure of methyne boron buckyballs B68(CH)12 and B72(CH)8 obtained by substituting respectively 12 and 8 boron cap atoms by methyne CH groups on the boron buckyball B80. DFT calculations and minimization…
We investigate the vibrational stability and the electronic structure of the proposed icosahedral fullerene-like cage structure of B80 [Szwacki, Sadrzadeh, and Yakobson, Phys. Rev. Lett. {\bf 98}, 166804 (2007)] by an all electron density…
A family of unusually stable boron cages was identified and examined using first-principles local density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing…
The morphology of Bucky onions is investigated by {\it ab initio} calculations using Yang's new $O(N)$ method. It is found that for large single shell fullerenes with $I_h$ symmetry, the spherical morphology has the lower energy than that…
Boron is the fifth element in the periodic table and possesses rich chemistry second only to carbon. A striking feature of boron is that B12 icosahedral cages occur as the building blocks in bulk boron and many boron compounds. This is in…
The assessed phase diagram of the boron-carbon system contains a single non-stoichiometric boron-carbide phase of rhombohedral symmetry with a broad, thermodynamically improbable, low temperature composition range. We combine first…
Boron carbide exhibits intrinsic substitutional disorder over a broad composition range. The structure consists of 12-atom icosahedra placed at the vertices of a rhombohedral lattice, together with a 3-atom chain along the 3-fold axis. In…
The icosahedra boron chain and three icosahedra sheets (with {\alpha}, {\delta}4, and {\delta}6 symmetries), constructed by the icosahedra B12, have been obtained as new members of boron family using a highly efficient molecular dynamics…
We report the spontaneous formation of a GaP fullerene cage in ab-initio Molecular Dynamics simulations starting from a bulk fragment. A systematic study of the geometric and electronic properties of neutral and ionized GaP clusters…
So far, no boron fullerenes were synthesized: more compact sp3-bonded clusters are energetically preferred. To circumvent this, metallic clusters have been suggested by Pochet et al. [Phys. Rev. B 83, 081403(R) (2011)] as "seeds" for a…
A mechanism of spontaneous conformal symmetry breaking based on field condensates in the Standard Model of strong and electroweak interactions is suggested. It is shown that an existence of the top quark condensate can supersede the tachyon…
The atomic structure of icosahedral B$_4$C boron carbide is determined by comparing existing infra-red absorption and Raman diffusion measurements with the predictions of accurate {\it ab initio} lattice-dynamical calculations performed for…
The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio…
In this paper, we revisit the model of bosonic matter in the form of a free complex scalar field with a nontrivial wormhole spacetime topology supported by a free phantom field. We obtain a new type of boson star with wormhole solutions, in…
Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R3(bar)m), the enthalpy minimizing structure has lower, monoclinic,…
Moire materials like twisted bilayer graphene have emerged as a rich playground of strongly correlated physics, where the effect of interactions can be drastically enhanced by tuning the non-interacting density of states via twist angle. A…
A recent experiment reported a large anomalous Hall effect in Magic Angle Twisted Bilayer Graphene (TBG) aligned with a hexagonal boron nitride(h-BN) substrate at $\frac{3}{4}$ filling of the conduction band. In this paper we study this…
We discuss the triviality and spontaneous symmetry breaking scenario where the Higgs boson without self-interaction coexists with spontaneous symmetry breaking. We argue that non perturbative lattice investigations support this scenario.…
A comprehensive study on the relative structural stability of various nanostructures of carbon clusters (including fullerenes, cages, onions, icosahedral clusters, bucky-diamond clusters, spherically bulk terminated clusters, and clusters…