Related papers: Quasiperiodic gallium adlayer on i-Al-Pd-Mn
The quasi-one-dimensional spin ladder compounds, BaFe$_2$S$_3$ and BaFe$_2$Se$_3$, are investigated by infrared spectroscopy and density functional theory (DFT) calculations. We observe strong anisotropic electronic properties and an…
The structural and vibrational properties of metal-organic interfaces have been examined by means of infrared (IR) absorption spectroscopy and density functional theory (DFT) with an approach accounting for long-range dispersive…
In collisions of heavy ions at extremely high energies, it is possible for a significant quantity of angular momentum to be deposited into the Quark-Gluon Plasma which is thought to be produced. We develop a simple geometric model of such a…
This work studies the spontaneous self-assembly of Ge QDs on AlAs, GaAs, and AlGaAs by high temperature in-situ annealing in molecular beam epitaxy (MBE). The morphology of Ge dots formed on AlAs are observed by atom probe tomography, which…
This study is an optimization of GaAs and Al$_{0.55}$Ga$_{0.45}$As growth on GaAs (111)B substrates with a surface misorientation of 2{\deg} towards [$\bar{2}$11], aiming to enhance surface morphology. For quantum optical metasurfaces…
Epitaxial Al/GaAs/Al structures having controlled thickness of high-quality GaAs and pristine interfaces have been fabricated using a wafer-bonding technique. III-V semiconductor/Al structures are grown by molecular beam epitaxy on III-V…
We study quasi-freestanding bilayer graphene on silicon carbide intercalated by calcium. The intercalation, and subsequent changes to the system, were investigated by low-energy electron diffraction, angle-resolved photoemission…
Interference of fractionally charged quasi-particles is expected to lead to Aharonov-Bohm oscillations with periods larger than the flux quantum. However, according to the Byers-Yang theorem, observables of an electronic system are…
The putative ground-state structures of 13-atom Cu and Ag clusters have been studied using ${\it ab \: initio}$ molecular-dynamics (AIMD) simulations based on the density-functional theory (DFT). An ensemble of low-energy configurations,…
We report on a combined scanning tunneling microscopy (STM) and density functional theory (DFT) based investigation of Co atoms on Ge(111)2x1 surfaces. When deposited on cold surfaces, individual Co atoms have a limited diffusivity on the…
Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at \num{1973} and \SI{2060}{cm^{-1}}, detected by Fourier transform infrared…
The recent experimental studies of twisted bilayer graphene (TBG) raise a fundamental question: how do we understand Mott localization in a topological band? In this work, we offer a new perspective of Mott physics, which can be generalized…
We have studied and resolved occupancy correlations in the existing average structure model of the complex metallic alloy xi'-Al-Pd-Mn [Boudard et al., Phil. Mag. A, 74, 939 (1996)], which has approximately 320 atoms in the unit cell and…
10 nm and 50 nm Co$_{2}$FeAl (CFA) thin films have been deposited on MgO(001) and Si(001) substrates by magnetron sputtering and annealed at different temperatures. X-rays diffraction revealed polycrystalline or epitaxial growth (according…
The structural profiles and electronic properties of pentacene (C$_{22}$H$_{14}$) multilayers on Ag(111) surface has been studied within the density functional theory (DFT) framework. We have performed first-principle total energy…
Structural studies on the icosahedral quasicrystals in Zn-Mg-Sc, Cu-Ga-Mg-Sc, and Zn-Mg-Ti alloys as well as their corresponding 1/1 cubic approximants, have revealed that these quasicrystals belong to a new structural group similar to…
The electronic structure and magnetism of individual Dy atom adsorbed on the MgO(001) substrate is investigated using the combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model…
The recent synthesis of MoSi2N4 material, along with theoretical predictions encompassing the entire family of chemical analogs, has opened up a new array of low-dimensional materials for a diverse range of optoelectronics and photovoltaics…
Potassium intercalation in graphite is investigated by first-principles theory. The bonding in the potassium-graphite compound is reasonably well accounted for by traditional semilocal density functional theory (DFT) calculations. However,…
Indium gallium nitride (InGaN) quantum well (QW) micro- and nanoscale light-emitting diodes (LEDs) are promising for next-generation ultrafast optical interconnects and augmented/virtual reality displays. However, scaling to nanoscale…