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

The central question in the field of 2D materials is how a material behaves when it is patterned at nanometer scale with different edge geometries. Due to the anisotropy inherent in the puckered structure, black phosphorene nanostructures…

We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…

We theoretically study emergent edge/corner localized states in monolayer black phosphorene. Using the tight-binding model based on the density functional theory, we find that the multi-orbital band structure due to the non-planar puckered…

We have carried out a detailed study of the chemical bonding for two room-temperature stable platinum silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. An analysis of the valence electronic charge density reveals surprising…

Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypical example, with decades of investigation having connected…

Quantum dimer models are believed to capture the essential physics of antiferromagnetic phases dominated by short-ranged valence bond configurations. We show that these models arise as particular limits of Ising (Z_2) gauge theories, but…

Surfaces in i-Al68Pd23Mn9 as observed with STM and LEED experiments show atomic terraces in a Fibonacci spacing. We analyze them in a bulk tiling model due to Elser which incorporates many experimental data. The model has dodecahedral…

Dressed Rydberg atoms in optical lattices are a promising platform for the quantum simulation of intriguing phenomena emerging in strongly interacting systems. Relevant to such a setup, we investigate the phase diagram of hard-core bosons…

The dynamics of three coupled bosonic wells (trimer) containing $N$ bosons is investigated within a standard (mean-field) semiclassical picture based on the coherent-state method. Various periodic solutions (configured as $\pi$-like,…

The molecule-like structure of the C isotopes (A=12, 14, 16) is investigated using a microscopic $\alpha+\alpha+\alpha+n+n+\cdot \cdot \cdot$ model. The valence neutrons are classified based on the molecular-orbit (MO) model, and both…

Motivated by the experiments on the triangular lattice bilayer colbaltate K$_2$Co$_2$(SeO$_3$)$_3$, we formulate a theory to explore the underlying physics from a couple observation. The model is composed of interacting Co$^{2+}$ dimers on…

We introduce quantum dimer models on lattices made of corner-sharing triangles. These lattices includes the kagome lattice and can be defined in arbitrary geometry. They realize fully disordered and gapped dimer-liquid phase with…

A variational technique to describe the ground and scattering states below the break-up threshold for a three-nucleon system is developed. The method consists in expanding the wave function in terms of correlated Harmonic Hyperspherical…

Silicon can be heavily doped with phosphorus in a single atomic layer (a $\delta$ layer), significantly altering the electronic structure of the conduction bands within the material. Recent progress has also made it possible to further dope…

We study the homogenized energy densities of periodic ferromagnetic Ising systems. We prove that, for finite range interactions, the homogenized energy density, identifying the effective limit, is crystalline, i.e. its Wulff crystal is a…

A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…

We demonstrate theoretically an atomic liquid phase that supports topologically nontrivial electronic structure. A minimum two-orbital model of liquid topological insulator in two dimensions is constructed within the framework of…

Sr$_{3}$Cr$_{2}$O$_{8}$ consist of a lattice of spin-1/2 Cr$^{5+}$ ions, which form hexagonal bilayers and which are paired into dimers by the dominant antiferromagnetic intrabilayer coupling. The dimers are coupled three-dimensionally by…

In a class of carbon-based materials called polymerized triptycene, which consist of triptycene molecules and phenyls, exotic electronic structures such as Dirac cones and flat bands arise from the kagome-type network. In this paper, we…

We study the ground state ordering and interactions between two two-dimensional Wigner crystals on neutralizing charged plates by means of computer simulation. We consider crystals formed by (i) point-like charges and (ii) charged dimers,…