Related papers: Comment on "Semiconducting Layered Blue Phosphorus…
The van der Waals (vdWs) forces between monolayers has been a unique distinguishing feature of exfoliable materials since the first isolation of graphene. However, the vdWs interaction of exfoliable materials with their substrates and how…
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…
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 $\textit{XYZ}$ half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr, Mn, Fe, Ni,…
Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
Monolayer black and blue phosphorenes possess electronic and optical properties that result in unique features when the two materials are stacked. We devise a low-strain van-der-Waals double layer and investigate its properties with ab…
We report a study of the structural phase transitions induced by pressure in bulk black phosphorus by using both synchrotron x-ray diffraction for pressures up to 12.2 GPa and Raman spectroscopy up to 18.2 GPa. Very recently black…
Recent experiments have found that a mechanically distorted blue phase can exhibit a primary linear electro-optic (Pockels) effect [F. Castles \textit{et al}. Nature Mater. \textbf{13}, 817 (2014)]. Here it is shown that flexoelectricity…
We report on a construction for smectic blue phases, which have quasi-long range smectic translational order as well as three dimensional crystalline order. Our proposed structures fill space by adding layers on top of a minimal surface,…
Black phosphorus (BP) is a two-dimensional layered material composed of phosphorus atoms. Recently, it was demonstrated that external perturbations such as an electric field close the band gap in few-layer BP, and can even induce a band…
Studies of the structural, electronic, and optical characteristics of the interfaces between graphene and ZnO polar surfaces is carried out using first-principles simulations. At the interface, a strong van der Waals force is present, and…
To understand sparse systems we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [H. Rydberg, B.I. Lundqvist, D.C. Langreth, and M.…
Thin flakes of black phosphorus (BP) are a two-dimensional (2D) semiconductor whose energy gap is predicted being sensitive to the number of layers and external perturbations. Very recently, it was found that a simple method of potassium…
As a high mobility two-dimensional semiconductor with strong structural and electronic anisotropy, atomically thin black phosphorus (BP) provides a new playground for investigating the quantum Hall (QH) effect, including outstanding…
In this paper we have systematically studied the electronic instability of pressured black phosphorous (BP) under strong magnetic field. We first present an effective model Hamiltonian for pressured BP near the Lifshitz point. We show that…
We present extensive numerical studies to determine the phase diagrams of cubic and hexagonal blue phases in an electric field. We confirm the earlier prediction that hexagonal phases, both 2 and 3 dimensional, are stabilized by a field,…
The paper reports on the solution in the semi-space corresponding to topological surface state. It was shown that the exponential surface state results from selection of the energy outside the allowed energy range. In the result, the…
The chromoelectric polarizability of mesons governs the strength of the gluonic van der Waals force and therefore of non-quark-exchange processes in hadronic physics. We compute the polarizability of heavy mesons with the aid of lattice…
Black Phosphorus (BP) is unique among layered materials owing to its homonuclear lattice and strong structural anisotropy. While recent investigations on few layers BP have extensively explored the in-plane (a,c) anisotropy, much less…
We have studied structural phase transition in BaNi2As2 superconductor with the application of Phosphorous doping based on first principles calculations. Our results reproduce experimental findings and explain some of the experimental…