Related papers: Fermi level alignment in single molecule junctions…
The rational design of single molecule electrical components requires a deep and predictive understanding of structure-function relationships. Here we explore the relationship between chemical substituents and the conductance of…
WTe$_2$ stands out as a semimetal presenting Fermi level quantum oscillations in most measured quantities under magnetic fields. However, the electronic band structure above and below the Fermi level has not been explored completely. Here…
We investigate the time-dependent reformation of the quasiparticle peak in a correlated metal near the Mott transition, after the system is quenched into a hot electron state and equilibrates with an environment which is colder than the…
Magnetic ordering of the first row transition metal intercalates of NbS$_2$ due to coupling between the conduction electrons and the intercalated ions has been explained in terms of Fermi surface nesting. We use angle-resolved photoelectron…
A quantum phase transition in strongly correlated Fermi systems beyond the topological quantum critical point is studied within the Fermi liquid approach. The transition occurs between two topologically equivalent states, each with three…
We present a computational scheme for extracting the energy level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on…
Previous high-resolution angle-resolved photoemission (ARPES) studies of URu$_2$Si$_2$ have characterized the temperature-dependent behavior of narrow-band states close to the Fermi level ($E_\mathrm{F}$) at low photon energies near the…
We present first-time measurements of the Fermi surface and low-energy electronic structure of intermetallic compounds Gd2PdSi3 and Tb2PdSi3 by means of angle-resolved photoelectron spectroscopy (ARPES). Both materials possess a flower-like…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently…
We study the existence and topological stability of Fermi points in a graphene layer and stacks with many layers. We show that the discrete symmetries (spacetime inversion) stabilize the Fermi points in monolayer, bilayer and multilayer…
We describe a solvable model of a quantum transition in a single band model involving a change in the size of the electron Fermi surface without any symmetry breaking. In a model with electron density $1-p$, we find a 'large' Fermi surface…
Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…
Chemical adsorption of the species at semiconductor surfaces is analyzed showing the existence of the two contributions to adsorption energy: bond creation and charge transfer. It is shown that the energy of quantum surface states is…
A nodal loop is formed by band crossing along a one-dimensional closed manifold, with each point on the loop a linear nodal point in the transverse dimensions and can be classified as type-I or type-II depending on the band dispersion.…
We study generic features of open quantum systems embedded into a continuum of scattering wavefunctions and compare them with results discussed in optics. A dynamical phase transition may appear at high level density in a many-level system…
Based on the matrix Green's function method combined with hybrid tight-binding / density functional theory, we calculate the conductances of a series of gold-dithiol molecule-gold junctions including benzenedithiol (BDT),…
Conventional superconductivity follows Bardeen-Cooper-Schrieffer(BCS) theory of electrons-pairing in momentum-space, while superfluidity is the Bose-Einstein condensation(BEC) of atoms paired in real-space. These properties of solid metals…
We present a detailed discussion of both theoretical and experimental evidence in favour of the existence of states of ``confined coherence'' in metals of sufficiently high anisotropy and with sufficiently strong correlations. The defining…
By treating the electron-ion interaction as perturbation in the first-principles Hamiltonian, we have calculated the density response functions of a fluid alkali metal to find an interesting charge instability due to anomalous electronic…
We study the normal state electronic excitations probed by angle resolved photoemission spectroscopy (ARPES) in Bi2201 and Bi2212. Our main goal is to establish explicit criteria for determining the Fermi surface from ARPES data on strongly…