相关论文: Surface and Image-Potential States on the MgB_2(00…
We report self-consistent {\it ab initio} calculations of structural and electronic properties for the B- and Mg-terminated MgB$_{2}$ (0001) surfaces. We employ ultra-soft pseudopotentials and plane wave basis sets within the generalized…
Surface state localization and hybridization on B, Mg, and Li terminated MgB_2(0001) surfaces are studied within density functional theory (DFT). For the B terminated surface we find a low energy B {\sigma}_1 surface state, a spz surface…
We report layer-Korringa-Kohn-Rostocker calculations for bulk and surface states as well as the corresponding angle resolved photoemission (ARPES) intensities of MgB2. Our theoretical results reproduce very well the recent ARPES data by…
The electronic properties of a semi-infinite metal surface without a bulk gap are studied by a formalism able to account for the continuous spectrum of the system. The density of states at the surface is calculated within the $GW$…
Surface potential in a topological matter could unprecedentedly localize the waves. However, this surface potential is yet to be exploited in topological photonic systems. Here, we demonstrate that photonic surface states can be induced and…
The formation of image-potential states at the interface between a graphene layer and a metal surface is studied by means of model calculations. An analytical one-dimensional model-potential for the combined system is constructed and used…
A theory of image-potential states is presented for the general case where these surface electronic states are resonant with a bulk continuum. The theory extends the multiple scattering approach of Echenique and Pendry into the strong…
Topological properties of systems lead to the emergence of surface states which can be observed experimentally within the angle-resolved photoemission spectroscopy (ARPES) measurements. Recently, the topological properties of Pb$_{2}$Pd…
We report results of dc magnetic and ac linear low-frequency study of a polycrystalline MgB$_2$ sample. AC susceptibility measurements at low frequencies, performed under dc fields parallel to the sample surface, provide a clear evidence…
The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…
The electronic structure of the superconducting surface sheath in a type-II superconductor in magnetic fields $H_{c2}<H<H_{c3}$ is calculated self-consistently using the Bogoliubov-de Gennes equations. We find that the pair potential…
We evaluate the electronic self-energy Sigma(E) at an Al(111) surface using the GW space-time method. This self-energy automatically includes the image potential V_{im} not present in any local-density approximation for exchange and…
The lifetime of image states, which represent a key quantity to probe the coupling of surface electronic states with the solid substrate, have been recently determined for quantum numbers $n\le 6$ on Cu(100) by using time-resolved…
The combined effect of single-particle and collective surface excitations in the decay of image-potential states on Ag surfaces is investigated, and the origin of the long-standing discrepancy between experimental measurements and previous…
First principles total-energy pseudopotential calculations have been performed to investigate STM images of the (110) cross-sectional surface of Mn-doped GaAs. We have considered configurations with Mn in interstitial positions in the…
A point charge near the surface of a topological insulator (TI) with broken time-reversal symmetry is predicted to generate an image magnetic charge in addition to an image electric charge. We use scanning tunneling spectroscopy to study…
Recently a novel surface pair-density-wave (PDW) superconducting state has been discovered in Refs. [Phys. Rev. Lett. \textbf{122}, 165302 (2019)] and Phys. Rev. B \textbf{101}, 054506 (2020)], which may go through a distinct multiple phase…
Perovskite alkaline earth stannates, such as $BaSnO_3$ and $SrSnO_3$, showing light transparency and high electrical conductivity (when doped), have become promising candidates for novel optoelectrical devices. Such devices are mostly based…
We scrutinize the accuracy of the pseudopotential approximation in density-functional theory (DFT) calculations of surfaces by systematically comparing to results obtained within a full-potential setup. As model system we choose the CO…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…