相关论文: Surface Van Hove Singularity Enabled Efficient Cat…
Kagome-lattice materials possess attractive properties for quantum computing applications, but their synthesis remains challenging. Herein, we show surface kagome electronic states (SKESs) on a Sn-terminated triangular Co3Sn2S2 surface,…
The development of efficient and stable intermediate-temperature solid oxide fuel cells (SOFCs) necessitates high-performance cathode materials that are cobalt-free, cost-effective, and compatible with proton-conducting electrolytes. While…
Saddle-point van Hove singularities in the topological surface states are interesting because they can provide a new pathway for accessing exotic correlated phenomena in topological materials. Here, based on first-principles calculations…
A numerical renormalization group (NRG) investigation of the one-centre $t-t'$ Kondo problem is performed for the square lattice with account of logarithmic Van Hove singularities (VHS) in the electron density of states. The magnetic…
Monolayer V2O3, a two-dimensional magnetic topological insulator with intrinsic ferromagnetic order and a nontrivial band gap, offers a promising platform for realizing quantum anomalous Hall (QAH) states. Using first-principles density…
Electrochemical reduction is a promising way to make use of CO$_2$ as feedstock for generating renewable fuel and valuable chemicals. Several metals can be used in the electrocatalyst to generate CO and formic acid but hydrogen formation is…
Topological quantum catalysts (TQCs), where metallic surface states from nontrivial band topology serve as the mechanism to favor heterogeneous catalysis processes, have been well demonstrated in three dimensional (3D) examples but have…
Cu$_2$O has appealing properties as an electrode for photo-electrochemical water splitting, yet its practical performance is severely limited by inefficient charge extraction at the interface. Using hybrid DFT calculations, we investigate…
The electronic states of capped semi-infinite nanotubes are studied within the phenomenological gauge field-theory model. A single manifold for the description of both the nanotube and the cap region (considered as nearly a half of either…
We study the electronic phases of the kagome Hubbard model (KHM) in the weak coupling limit around van Hove filling. Through an analytic renormalization group analysis, we find that there exists a sublattice interference mechanism where the…
There is a great deal of interest in attributing the high critical temperatures of the cuprates to either the proximity of the Fermi level to a van Hove singularity or to structure of the superconducting pairing potential in momentum space…
The development of noble-metal free electrocatalysts is of high importance for clean energy conversion applications. MoS$_2$ has been considered as a promising low cost catalyst for the hydrogen evolution reaction (HER), however its…
Using high-resolution photoemission spectroscopy we demonstrate that the electronic structure of several organic monolayer systems, in particular 1,4,5,8-naphthalene tetracarboxylic dianhydride and Copper-phtalocyanine on Ag(111), is…
Densities of states for simple (sc) and base-centered (bcc) cubic lattices with account of nearest and next-nearest neighbour hopping integrals $t$ and $t'$ are investigated in detail. It is shown that at values of $\tau \equiv t'/t =…
Long-range electronic order descending from a metallic parent state constitutes a rich playground to study the intricate interplay of structural and electronic degrees of freedom. With dispersive and correlation features as multifold as…
We investigate a competition of tendencies towards ferromagnetic and incommensurate order in two-dimensional fermionic systems within functional renormalization group technique using temperature as a scale parameter. We assume that the…
We present a High-Pressure X-ray Photoelectron Spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition…
High-resolution angle-resolved photoemission experiments reveal subtle modifications of the surface electronic structure of VSe2. Most remarkably, we show that superconductivity can be induced in VSe2 by the right selection of substrate and…
The antiferromagnetic kagome lattice compound FeGe has been revealed to host an emergent charge-density-wave (CDW) state which manifests complex interplay between the spin, charge and lattice degrees of freedom. Here, we present a…
The interplay between topology and superconductivity in quantum materials harbors rich physics ripe for discovery. In this study, we investigate the topological properties and superconductivity of the nonsymmorphic chiral superconductor…