相关论文: Two-dimensional ReN$_2$ materials from first princ…

We propose a class of graphene-based moir\'e systems hosting flat bands on kagome and honeycomb moir\'e superlattices. These systems are formed by stacking a graphene layer on a 2D substrate with lattice constant approximately $\sqrt{3}$…

This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…

We propose two novel two-dimensional (2D) topological materials, (PtN$_4$)$_3$C$_{32}$ and (MnN$_4$)$_3$C$_{32}$, with a special geometry that we named as kagome-in-honeycomb (KIH) lattice structure, to illustrate the coexistence of the…

VI$_{3}$ is a ferromagnet with planar honeycomb sheets of bonded V$^{3+}$ ions held together by van der Waals forces. We apply neutron spectroscopy to measure the two dimensional ($J/J_{c} \approx 17$) magnetic excitations in the…

The electronic structures of BaAlGe and SrAlGe which are superconductors with hexagonal honeycomb layers have been studied by using a first principles method. Energy bands, Fermi surafces, and density of states are presented. The two…

Anthracyne (2DDA). 2DDA consists of chains of Dewar-anthracenes connected by acetylenic linkages. DFT-based simulations show that 2DDA is thermally stable and exhibits no imaginary phonon modes, confirming its dynamic stability. 2DDA is…

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

By using a variational Monte Carlo technique based upon Gutzwiller-projected fermionic states, we investigate the dynamical structure factor of the antiferromagnetic $S=1/2$ Heisenberg model on the honeycomb lattice, in presence of…

In this work, the effect of introducing next nearest neighbor (NNN) hopping to the 2D materials was studied using the graphene 2D honeycomb two sublattice as an example. It is found that introducing NNN to the 2D materials removes the…

Two-dimensional (2D) magnets have attracted significant attentions in recent years due to their importance in the research on both fundamental physics and spintronic applications. Here, we report the discovery of a new ternary compound…

The zigzag edge graphene nanoribbon, which is an antiferromagnetic insulator, is found from the density-function theory calculation to display a robust Dirac point after N and B doping at the zigzag edge. More interestingly, we found that…

The magnetic properties of the two-dimensional, S=1 honeycomb antiferromagnet BaNi$_2$V$_2$O$_8$ have been comprehensively studied using DC susceptibility measurements and inelastic neutron scattering techniques. The magnetic excitation…

Two-dimensional (2D) layered materials possess outstanding mechanical, electronic and optical properties, making them ideal materials for nanoelectromechanical applications. The recent discovery of 2D magnetic materials has promised a new…

We use density functional theory based first-principles method to investigate the bandstructure and phase stability in the laterally grown hexagonal C$_x$(BN)$_{1-x}$, two-dimensional Graphene and $h$-BN hybrid nanomaterials, which were…

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…

Single crystal x-ray diffraction, magnetic susceptibility, heat capacity, and electrical resistivity measurements are reported for the new tetragonal compound Ce$_{2}$PdGe$_{3}$, which forms in the space group $P4_{2}/mmc$ (\#131) $-$ a…

Electronic bands near the Fermi energy with minimal energy dispersion in k-space, i.e. "flat bands", are often said to be an important characteristic of superconducting materials. When extending over a significant region of the k-space,…

In this review, we present recent works on materials whose common point is the presence of electronic bands of very low dispersion, called "flat bands", which are due to specific atomic order effects without electron interactions. These…

A new silicene-like family of reconstructed surfaces on Si111 are discussed which appears to be a polymorph to the well know family of surface reconstructions best epitomized by the 7x7 surface. Several experimental features are discussed…

The beginning of high interest in two-dimensional (2D) crystals is marked by the synthesis of graphene, which constitutes exemplary monolayer material. This is due to the multiple extraordinary properties of graphene, particularly in the…