Related papers: Surface Van Hove Singularity Enabled Efficient Cat…
Van Hove singularities (vHSs) strongly amplify electron interactions and can stabilize correlated phases in topological bands. Here we report signatures of topological magnetism in large-angle twisted bilayer MoTe2 driven by the interplay…
We introduce a new type of van Hove singularity in two dimensions, where a saddle point in momentum space is changed from second-order to high-order. Correspondingly, the density of states near such ``high-order van Hove singularity'' is…
We report a first-principles density-functional calculation of the electronic structure and properties of the recently discovered superconducting beta-pyrochlore oxide KOs_2O_6. We find that the electronic structure near the Fermi energy…
Ever since BCS theory was first formulated it was recognized that a large electronic density of states at the Fermi level was beneficial to enhancing $T_c$. The A15 compounds and the high temperature cuprate materials both have had an…
Motivated by the experimental identification of a higher-order van Hove singularity (VHS) in AV$_3$Sb$_5$ kagome metals, we study electronic instabilities of 2D lattice models with higher-order VHS and flavor degeneracy. In contrast to…
Theoretical studies of the metamagnetism and anomalous phase of Sr3Ru2O7 have focused on the role of van Hove singularities, although much experimental evidence points towards quantum criticality having a large effect. We investigate the…
The superconducting upper critical field $H_{c2}(T)$ of a two dimensional BCS superconductor is calculated in the vicinity of a van-Hove singularity. The zero temperature upper critical field is strongly enhanced at weak coupling when the…
Searching for unconventional Cooper pairing states has been at the heart of superconductivity research since the discovery of BCS superconductors. In particular, spin-triplet odd-parity pairing states were recently revisited due to the…
Van Hove singularity are electronic instabilities that lead to many fascinating interactions, such as superconductivity and charge-density waves. And despite much interest, the nexus of emergent correlation effects from van Hove…
Quantum materials with layered kagome structures have drawn considerable attention due to their unique lattice geometry, which gives rise to flat bands co-existing with Dirac-like dispersions. The interplay between strong Coulomb…
The electronic structure and phase stability of paramagnetic FeSe is computed by using a combination of ab initio methods for calculating band structure and dynamical mean-field theory. Our results reveal a topological change (Lifshitz…
In two-dimensional electronic lattices, changes in the topology of the Fermi surface (Lifshitz transitions) lead to Van Hove singularities characterized by a divergence in the electronic density of states. Van Hove singularities can enhance…
Spin-orbit coupling plays a large role in stabilizing the low-temperature orthorhombic phase of La$_{2-x}$Sr$_x$CuO$_4$. It splits the degeneracy of the van Hove singularities (thereby stabilizing the distorted phase) and completely changes…
We investigate the development of superconductivity in graphene when the Fermi level becomes close to one of the Van Hove singularities of the electron system. The origin of the pairing instability lies in the strong anisotropy of the e-e…
In this study, the effect of the reaction medium on the initial hydrogen decomposition of the sodium borohydride (SBH) hydrolysis reaction in the presence of the Co catalyst surface has been theoretically investigated using the Castep…
In the last several years, there has been a wealth of studies to clarify the role of thin layers of electrocatalysts on semiconducting photoelectrodes to the efficiency of the oxygen evolution reaction (OER). It has been shown that the…
Unravelling the origins of single-atom catalyst reactivity is a central challenge in heterogeneous catalysis research. A key question is whether the activity arises solely from atomic isolation or from distinct structural and electronic…
Chemical substitution is a promising route for the exploration of a rich variety of doping- and/or disorder-dependent collective phenomena in low-dimensional quantum materials. Here we show that transition metal dichalcogenide alloys are…
The dynamic reconstruction of surfaces during electrochemical reactions plays a crucial role in determining the performance of electrocatalysts. However, because reconstructions occur at the atomic level, direct observation and elucidation…
The ability to efficiently evolve hydrogen via electrocatalysis at low overpotentials holds tremendous promise for clean energy. Hydrogen evolution reaction (HER) can be easily achieved from water if a voltage above the thermodynamic…