相关论文: Structures of group-15 elemental solids from an ef…

We study Wigner crystallization of electron systems in phosphorene quantum dots with confinement of an electrostatic origin with both circular and elongated geometry. The anisotropy of the effective mass allows for the formation of Wigner…

Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient pressure was found…

Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…

A quantum dot has been etched in bilayer graphene connected by two small constrictions to the leads. We show that this structure does not behave like a single quantum dot but consists of at least three sites of localized charge in series.…

We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of…

Topological materials hosting metallic edges characterized by integer quantized conductivity in an insulating bulk have revolutionized our understanding of transport in matter. The topological protection of these edge states is based on…

The antiferromagnetic (AF) model is generalized for the quasielectron system composed of identical ionic-covalent dimers. The density-fluctuation and covalent-correlation operators are constructed based on the extended AF density matrices,…

The modification of the quantum states in a Dice lattice due to a Coulomb impurity are investigated. The energy band structure of a pristine Dice lattice consists of a Dirac cone and a flat band at the Dirac point. We use the tight binding…

Stability of the bound ground states in the six five-body muonic $a b \mu e_2$ ions (or $(a b \mu e_2)^{-}$) and ten six-body $a b c \mu e_2$ quasi-molecules is investigated. The notations $a, b, c$ stand for the bare nuclei of three…

Collections of interacting, self-propelled particles have been extensively studied as minimal models of many living and synthetic systems from bird flocks to active colloids. However, the influence of active rotations in the absence of…

We examine magnetic structures of electron systems on an extended triangular lattice that consists of two types of bond triangles with electron transfer energies t_l and t'_l (l = 1, 2, and 3), respectively. We examine the ground state in…

We introduce a two-component system which models a pseudospinor Bose-Einstein condensate (BEC), with a microwave field coupling its two components. The feedback of BEC of the field (the local-field effect) is taken into account by dint of…

We present comprehensive theoretical studies on the lattice relaxation and the electronic structures in general non-symemtric twisted trilayer graphenes. By using an effective continuum model, we show that the relaxed lattice structure…

The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…

In this work we present the electronic band structure for (001)--CdTe interfaces with some other II--VI zinc blende semiconductors. We assume ideal interfaces. We use tight binding Hamiltonians with an orthogonal basis ($s p^3 s^*$). We…

In this work we undertake a comprehensive numerical study of the ground state structures and optical absorption spectra of isomers of B$_{12}$ cluster. Geometry optimization was performed at the coupled-cluster-singles-doubles (CCSD) level…

We investigate three-component (colors) repulsive fermionic atoms in optical lattices using the dynamical mean field theory. Depending on the anisotropy of the repulsive interactions, either a color density-wave state or a color selective…

We investigate the structure and mechanical behavior of assemblies of frictionless, nearly rigid equal-sized beads, in the quasistatic limit, by numerical simulation. Three different loading paths are explored: triaxial compression,…

After a brief discussion of the structural trends which appear with increasing number of atoms in B cages, a one-to one correspondence between the connectivity of B cages and C cage structures will be proposed. The electronic level spectra…

The effect of nearest-neighbor repulsion on the ground-state phase diagrams of three-body constrained attractive Bose lattice gases is explored numerically. When the repulsion is turned on, in addition to the uniform Mott insulating state…