相关论文: Carbon Dimer in Silicon Cage: A Class of Highly St…
Recently, carbon hyperhoneycomb ($\mathcal{H}$-n) lattices have been proposed to be, through a one-$p$ orbital tight-binding (TB) model with nearest-neighbor (n.n.) hopping, a family of strong 3D topological insulators (K. Mullen, B. Uchoa…
Based on first-principles calculation we predict two new thermodynamically stable layered-phases of silicon, named as silicites, which exhibit strong directionality in the electronic and structural properties. As compared to silicon…
Recent ab initio calculations [Mattausch et al., Phys. Rev. B 70, 235211 (2004)] of carbon clusters in SiC reveal a possible connection between the tricarbon antisite (C_3)_Si and the U photoluminescence center in 6H-SiC [Evans et al.,…
The lithium-carbon binary system possesses a broad range of chemical compounds, which exhibit fascinating chemical bonding characteristics that give rise diverse and technologically important properties. While lithium carbides with various…
Single atoms and few-atom nanoclusters are of high interest in catalysis and plasmonics, but pathways for their fabrication and stable placement remain scarce. We report here the self-assembly of room-temperature-stable single indium (In)…
Crystal defects can confine isolated electronic spins and are promising candidates for solid-state quantum information. Alongside research focusing on nitrogen vacancy centers in diamond, an alternative strategy seeks to identify new spin…
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 spontaneous rotation of small dust clusters confined inside a cubical glass box in the sheath of a complex plasma was observed in experiment. Due to strong coupling between the dust particles, these clusters behave like a rigid-body…
A crystalline form of LiBC is known which has been predicted to be superconducting, with a Tc comparable to that of MgB_2. In both compounds, superconductivity is enhanced by the presence of two electronic bands, one of which is close to a…
We apply the homotopy group theory in classifying the topological defects in atomic spin-1 and spin-2 Bose-Einstein condensates. The nature of the defects depends crucially on the spin-spin interaction between the atoms. We find the…
Understanding the structure and dynamics of Earth's inner core is essential for constraining its composition, thermal evolution, and seismic properties. Silicon is a probable major component of Earth's core. Using first-principles molecular…
Carbon nanotubes tend to collapse when their diameters exceed a certain threshold, or when a sufficiently large external pressure is applied on their walls. Their radial stability of tubes has been studied in each of these cases, however a…
We study superconducting (SC) phases that are naturally proximate to a spin-orbit coupled SU(8) Dirac semi-metal on a honeycomb lattice. This system, which offers enhanced low-energy symmetries, presents an interesting platform for…
Positron lifetime spectroscopy was used to study native vacancy defects in semi-insulating silicon carbide. The material is shown to contain (i) vacancy clusters consisting of 4--5 missing atoms and (ii) Si vacancy related negatively…
Quantum dimer models typically arise in various low energy theories like those of frustrated antiferromagnets. We introduce a quantum dimer model on the kagome lattice which stabilizes an alternative $\mathbb{Z}_2$ topological order, namely…
The nucleation of carbon caps on small nickel clusters is studied using a tight binding model coupled to grand canonical Monte Carlo simulations. It takes place in a well defined carbon chemical potential range, when a critical…
We theoretically investigate the dynamics of modulation instability (MI) in two-dimensional spin-orbit coupled Bose-Einstein condensates (BECs). The analysis is performed for equal densities of pseudo-spin components. Different combination…
We have investigated the lowest-energy structures and electronic properties of the Au$_n$(n=2-20) clusters based on density functional theory (DFT) with local density approximation. The small Au$_n$ clusters adopt planar structures up to…
The mass spectra of gas-phase clusters in cluster beams have a rich structure where the relative heights of the peaks compared to peaks corresponding to clusters of neighbor sizes reveal the stability of the clusters as a function of the…
A combined low-temperature scanning tunneling microscopy and density functional theory study on the binding and diffusion of copper monomers, dimers, and trimers adsorbed on Cu(111) is presented. Whereas atoms in trimers are found in fcc…