相关论文: Fluorite-type materials in the monolayer limit
The structure of amorphous materials has been debated since the 1930's as a binary question: amorphous materials are either Zachariasen continuous random networks (Z-CRNs) or Z-CRNs containing crystallites. It was recently demonstrated,…
The static and dynamic properties of V^{4+} spins (S = 1/2) in the frustrated square lattice compound Pb2(VO)(PO4)2 were investigated by means of magnetic susceptibility chi and 31P nuclear magnetic resonance (NMR) shift (K) and 31P nuclear…
Perfluoropentacene (PFP), an $n$-type organic semiconductor, is deposited at monolayer and bilayer coverage on Cu(111). Scanning tunneling microscopy at various bias voltages is used to investigate the geometric and electronic structure of…
Recently, the prospects for amorphous phases of graphene (a-G) have been explored computationally. Initial models were flat, and contained odd-member rings, while maintaining three-fold coordination and sp2 bonding. Upon relaxation,…
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…
Based on variable components global optimization algorithm, we predict a stable two-dimensional (2D) phase of boron phosphide with 1:5 stoichiometry, i.e. boron pentaphosphide (BP_5) monolayer, which has a lower formation energy than that…
Single crystal neutron diffraction, inelastic neutron scattering and electron spin resonance experiments are used to study the magnetic structure and spin waves in Pb$_2$VO(PO$_4$)$_2$, a prototypical layered $S=1/2$ ferromagnet with…
We employ an ab-initio structure search algorithm to explore the configurational space of Bi in quasi two dimensions. A confinement potential restricts the movement of atoms within a pre-defined thickness during structure search…
By using ab inito calculations within Density Functional Theory, we have explored the possible structures and various properties of porous AlN monolayer materials. Two kinds of porous AlN monolayer are identified, and the phonon dispersion…
Reflected neutron beam originating from a crystal monochromator contains higher order wavelength contribution. Creating multilayer mirror structures with custom reflectivity curves including a monochromatic polarized neutron beam is a…
The distinguishing structural feature of single-layer black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a new parameterization of the Stillinger-Weber potential for…
NMR is the technique of election to probe the local properties of materials. Herein we present the results of density functional theory (DFT) \textit{ab initio} calculations of the NMR parameters for fluorapatite (FAp), a calcium…
Twisted graphene layers exhibit extremely low friction for relative sliding. Nevertheless, previous studies suggest that the area contribution to friction for commensurate moir\'e systems is finite and might restrict macroscopic…
We design two-dimensional (2D) mechanical metamaterials that may be deformed substantially at little or no energy cost. Examples of such deformable structures are assemblies of rigid isosceles triangles hinged in their corners on the…
In this review we provide an introduction to the physics of a series of frustrated quantum rare-earth pyrochlores. We first give a background on the microscopic single- and two-ion physics of these materials, discussing the origins and…
Two geometrically frustrated pyrochlore stannates, undergoing long range magnetic order below 1K, were investigated at very low temperature. Anomalies in the behaviour of hyperfine quantities are found, by 155Gd Mossbauer spectroscopy in…
The effect of a randomly fluctuating gap, created by a random staggered potential, is studied in a monolayer and a bilayer of graphene. The density of states, the one-particle scattering rate and transport properties (diffusion coefficient…
Today, 2D semiconductor materials have been extended into the nitrogen group: phosphorene, arsenene, antimonene and even nitrogene. Motivated by them, based upon first-principles density functional calculations, we propose a new…
We use computer simulations and simple theoretical models to analyze the morphologies that result when rod-like particles end-attach onto a curved surface, creating a finite-thickness monolayer aligned with the surface normal. This geometry…
In this paper, the flutter behaviour of simply supported square functionally graded material plates immersed in a supersonic flow is studied. An enriched 4-noded quadrilateral element based on field consistency approach is used for this…