Related papers: Electron correlation in 2D periodic systems
Bootstrap embedding (BE) is a recently developed electronic structure method that has shown great success at treating electron correlation in molecules. Here, we extend BE to treat surfaces and solids where the wave function is represented…
The Bloch electron energy spectrum of a crystalline solid is determined by the underlying lattice structure at the atomic level. In a 2-dimensional (2d) crystal it is possible to impose a superlattice with nanometer-scale periodicity,…
Electronic correlation can strongly influence the electronic properties of two-dimensional (2D) materials with open d- or f-orbitals. Herein, by taking single-layer (SL) H-FeBr$_2$ as a representative of the SL H-FeX$_2$ (X=Cl, Br, I)…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
Electron-beam propagation experiments have been used to determine the energy and angle dependence of electron-electron (ee) scattering a two-dimensional electron gas (2DEG) in a very direct manner by a new spectroscopy method. The…
We use angle-resolved photoemission to study the three dimensional (3D) electronic structure of Co pnictides ACo2As2 with A=Ba, Sr, Ca or a mixture of Sr and Ca. These compounds are isostructural to Fe based superconductors, but have one…
The superconducting phase in iron based high Tc superconductors (FeSC) as in other unconventional superconductors such as the cuprates neighbours a magnetically ordered one in the phase diagram. This proximity hints at the importance of…
The role of electronic correlations in Condensed Matter is at the heart of various important systems, like magnetic materials, superconductors, topological materials, optical lattices, etc. Electronic correlations are those which change the…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
Lattice reconstruction in twisted transition-metal dichalcogenide (TMD) bilayers gives rise to piezo- and ferroelectric moir\'e potentials for electrons and holes, as well as a modulation of the hybridisation across the bilayer. Here, we…
Electronic correlation is believed to play an important role in exotic phenomena such as insulator-metal transition, colossal magneto resistance and high temperature superconductivity in correlated electron systems. Recently, it has been…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…
Two-dimensional (2D) bilayers, twisted to particular angles to display electronic flat bands, are being extensively explored for physics of strongly correlated 2D systems. However, the similar rich physics of one-dimensional (1D) strongly…
Thin films of CdTe were deposited on glass substrates by thermal evaporation. From the XRD measurements itis found that the films are of zinc-blende-type structure. Transmittance, absorption, extinction, and refractive coefficients are…
Thin organic films and two-dimensional (2D) molecular assemblies on solid surfaces yield the potential for applications in molecular electronics, optoelectronics, catalysis, and sensing. These applications rely on the intrinsic electronic…
This work demonstrates electron energy loss spectroscopy of 2D materials in a 1-30 keV electron microscope, observing 100-times stronger electron-matter coupling relative to 125 keV microscopes. We observe that the universal curve relating…
Electron energy loss spectroscopy (EELS) has been established as a powerful analytical technique for investigating the oxidation state, band structure, and dielectric properties of materials with exceptional spatial resolution. Inspired by…
We derive and validate a quantitative analytical model of the near-field electrostatic effects in the vicinity (>=3\AA) of two-dimensional (2D) materials. In solving the Poisson equation of a near-planar point charge ansatz for the…