相关论文: Spatially-resolved, substrate-induced rectificatio…
The adequate interpretation of scanning tunneling microscopy (STM) images of the clean Si(001) surface is presented. We have performed both STM observations and {\it ab initio} simulations of STM images for buckled dimers on the clean…
We report on the investigation of the atomic and electronic structures of a clean Si(331)-(12$\times$1) surface using a first-principles approach with both plane wave and strictly localized basis sets. Starting from the surface structure…
Strongly correlated states are commonly emerged in twisted bilayer graphene (TBG) with magic-angle, where the electron-electron (e-e) interaction U becomes prominent relative to the small bandwidth W of the nearly flat band. However, the…
Delicate engineering of the bands remains challenging due to complex electronic, structural, and compositional interplay. We demonstrate the formation of distinct metallic and insulating ground states in ultra-thin copper sulfide films by…
Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…
Current-induced torques originating from earth-abundant 3d elements offer a promising avenue for low-cost and sustainable spintronic memory and logic applications. Recently, orbital currents -- transverse orbital angular momentum flow in…
Quantum coherent effects can be probed in multilayer graphene through electronic transport measurements at low temperatures. In particular, bilayer graphene is known to be susceptible to quantum interference corrections of the conductivity,…
A microscopic configuration-interaction (CI) methodology is introduced to enable bottom-up Schroedinger-equation emulation of unconventional superconductivity in ultracold optical traps. We illustrate the method by exploring the properties…
We investigated the mechanism of Na/Ta(110) and Ta/Na(110) interfaces using a combination of bond band barrier (BBB) and zone selective electron spectroscopy (ZES) correlation. We found that 7/9 ML and 8/9 ML Ta metal on a Na(110) surface…
Coherent motion of the electrons in the Bloch states is one of the fundamental concepts of the charge conduction in solid state physics. In layered materials, however, such a condition often breaks down for the interlayer conduction, when…
The occurrence of superconducting and insulating phases is well-established in twisted graphene bilayers, and they have also been reported in other arrangements of graphene layers. We investigate three such arrangements: untwisted AB…
We study a one-band Hubbard model of twisted bilayer cuprates with a twist angle of $53.13^\circ$. By introducing an inter-layer bias, we simulate heterobilayers of different dopings. Using the variational cluster approximation (VCA) we…
Copper-based catalysts are of particular interest for electrochemical reduction of CO$_2$ (CO2RR) as products beyond CO can form. To improve activity and selectivity, several studies have focused on the addition of other elements as…
Chemisorption process and catalytic activity of CO to CO2 conversion on PdXRu1-X (X : 0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1) extended as a benchmark for further investigation of very complex nanoparticle (NP) structures have been checked into…
In this letter, we have studied the effects of proximity of a superconductor to a normal metal. The system, represented by a bilayer attractive Hubbard model, is investigated using layer-dynamical mean field theory and iterated perturbation…
Using scanning tunneling microscopy at low temperatures we investigated the adsorbate system Cu(111)-Cs for various cesium coverages. At low coverages we observe a hexagonally ordered Cs adsorption layer with a mutual adsorbate distance of…
With the two-band continuum model, we study the broken inversion and time-reversal symmetry state of electrons with finite-range repulsive interactions in bilayer graphene. With the analytical solution to the mean-field Hamiltonian, we…
Strain engineering is a vital way to manipulate the electronic properties of two-dimensional (2D) materials. As a typical representative of transition metal mono-chalcogenides (TMMs), a honeycomb CuSe monolayer features with one-dimensional…
Moir\'e materials with flat electronic bands provide a highly controllable quantum system for studies of strong-correlation physics and topology. In particular, angle-aligned heterobilayers of semiconducting transition metal dichalcogenides…
Graphene can be turned into a semimetal with broken time-reversal symmetry by adding a valley-dependent pseudo-scalar potential that shifts the Dirac point energies in opposite directions, as in the modified Haldane model. We consider a…