Related papers: Fluorite-type materials in the monolayer limit
Single-layer transition metal dihalides grown on conducting substrates were shown to host stable polarons. Here, we investigate polarons in insulating single-layer MnBr$_2$ grown by molecular beam epitaxy on three different substrates,…
In the deformation of layered materials such as geological strata, or stacks of paper, mechanical properties compete with the geometry of layering. Smooth, rounded corners lead to voids between the layers, while close packing of the layers…
The negative Poisson`s ratio (NPR) is a novel property of materials, which enhances the mechanical feature and creates a wide range of application prospects in lots of fields, such as aerospace, electronics, medicine, etc. Fundamental…
The mechanical properties of single-layer black phosphrous under uniaxial deformation are investigated using first-principles calculations. Both Young's modulus and the ultimate strain are found to be highly anisotropic and nonlinear as a…
Binary transition metal nitride with a graphene-like structure and strong magnetic properties is rare. Based on the first-principles calculations, we design two kinds of $M$N$_4$ ($M$ =transition metal) monolayers, which are transition…
Topological phases have attracted much interest in recent years. While there are a number of three-dimensional materials exhibiting topological properties, there are relatively few two-dimensional examples aside from the well-known quantum…
We introduce a new class of moir\'e systems and materials based on monolayers with triangular lattices and low-energy states at the M points of the Brillouin zone. These M-point moir\'e materials are fundamentally distinct from those…
Understanding failure in nanomaterials is critical for the design of reliable structural materials and small-scale devices that have components or microstructural elements at the nanometer length scale. No consensus exists on the effect of…
The widely used crystal structures for both heptazine-based and triazine-based two-dimensional (2D) graphitic carbon nitride (g-C$_3$N$_4$) are the flat P-6m2 configurations. However, the experimentally synthesized 2D g-C$_3$N$_4$ possess…
Applying long wavelength periodic potentials on quantum materials has recently been demonstrated to be a promising pathway for engineering novel quantum phases of matter. Here, we utilize twisted bilayer boron nitride (BN) as a moir\'e…
Polarization reversal within a ferroelectric material is commonly described as a progression of smaller switching events, giving rise to crackling or Barkhausen noise. While studies on Barkhausen noise, and particularly the associated event…
Plasmonic nano structures such as wire waveguides or antennas are key building blocks for novel highly integrated photonics. A quantitative understanding of the optical material properties of individual structures on the nanoscale is thus…
In this paper we present a thorough first-principles based density functional theory study of the structural stability, electronic, magnetic, and optical properties of pristine and doped gallium phosphide (GaP) monolayers. The pristine GaP…
The information accessible from a muon-spin relaxation experiment is often limited since we lack knowledge of the precise muon stopping site. We demonstrate here the possibility of localizing a spin polarized muon in a known stopping state…
We synthesize and study the structural and optical properties of nanocrystalline graphene monofluoride and graphite monofluoride, which are carbon-based wide bandgap materials. Using laser excitations 2.41 - 5.08 eV, we identify six…
The morphology and electronic structure of pentacene (Pn) deposited on Cu(111) was studied using scanning tunneling microscopy (STM) and spectroscopy (STS). Deposition of a multilayer followed by annealing to reduce coverage to a monolayer…
We present room temperature ferromagnetic resonance (FMR) studies of polycrystalline ||Pt/10 nm Cu/t Co/10 nm Cu/Pt|| films as a function of Co layer thickness (1 < t < 10 nm) grown by evaporation and magnetron sputtering. FMR was studied…
Twisted multilayer systems, encompassing materials like twisted bilayer graphene (TBG), twisted trilayer graphene, and twisted bilayer transition metal dichalcogenides, have garnered significant attention in condensed matter physics.…
We have calculated numerically electron exchange, correlation energies and dynamical polarization function for newly discovered silicene, germanene and black phosphorus (BP), consisting of puckered layers of elemental phosphorus atoms,…
Single partially confined collapsed polymers are studied in two dimensions. They are described by self-avoiding random walks with nearest-neighbour attractions below the $\Theta$-point, on the surface of an infinitely long cylinder. For the…