Related papers: Fermi level alignment in molecular nanojunctions a…
Based on density functional calculations, the relationship between magnetism or superconductivity and electronic states around Fermi level were derived, and the location of the Fermi level in nonmagnetic "form" of Laves-phase compounds is…
We demonstrate the reversible in situ photoreduction of molecular junctions of phosphomolybdate [PMo12O40]3- monolayer self-assembled on flat gold electrodes, connected by the tip of a conductive atomic force microscope. The conductance of…
Systematic analysis of the planar resistivity, Hall effect and cotangent of the Hall angle for the electron-doped cuprates reveals underlying Fermi-liquid behavior even deep in the antiferromagnetic part of the phase diagram. The transport…
Through a 2-dimensionnal tight-binding crystal orbital approach and a (CuO2)2 square unit cell of parameter a, we show that a Cu2+/O2- -> Cu+/O- charge transfer is likely to occur at the M($\pi/a$, $\pi/a$) point of the Brillouin zone, for…
I show that the quantum critical points observed in heavy fermions (the `Kondo breakdown') and in doped cuprates can be understood in terms of concealed Mott criticality. In this picture, one species of electrons undergoes a Mott…
Using a density-functional-based transport method we study the conduction properties of several biphenyl-derived dithiol (BPDDT) molecules wired to gold electrodes. The BPDDT molecules differ in their side groups, which control the degree…
We show that electron pairing is indispensable for the development of the leading edge gap as observed in ARPES measurement in the underdoped cuprates, even though clear evidence for the violation of the particle-hole symmetry is found in…
In this study, we report the observation of a pseudogap associated with the insulator-metal transition in compositions of Pr$_{1-x}$Sr$_x$MnO$_3$ system with no charge ordering. Our valence band photoemission study shows that the observed…
Whether at phenomenological or microscopic levels, most theoretical approaches to charge transport through molecular junctions postulate or attempt to justify microscopically the existence of a dominant molecular orbital (MO). Within such…
We report the synthesis and characterization of molecular rectifying diodes on silicon using sequential grafting of self-assembled monolayers of alkyl chains bearing a pi group at their outer end (Si/sigma-pi/metal junctions). We…
Fluctuations of conserved quantities within a subsystem are non-local observables that provide unique insights into quantum many-body systems. In this paper, we study bipartite charge (and spin) fluctuations across interaction-driven…
The effect of substitution atoms on the energy spectrum and the electrical conductivity of graphene was investigated in a Lifshitz one-electron tight-binding model. It is established that the ordering of impurity atoms results in a gap in…
Strong electron correlations lie at the origin of transformative phenomena such as colossal magneto-resistance and high-temperature superconductivity. Already near room temperature, doped copper oxide materials display remarkable features…
The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the…
Noncentrosymmetric metals such as Li$_2$(Pd$_{1-x}$Pt$_x$)$_3$B have different Fermi surface topology below and above the band touching point where spin-degeneracy is not lifted by the spin-orbit coupling. We investigate thermoelectric and…
An effective Hamiltonian which could model the interaction between a tunneling proton and the conduction electrons of a metal is investigated. A remarkably simple correlation between the motion of the $TLS$-atom and an angular-momentum…
An instability of a diffusive Fermi liquid, indicative of a metal-insulator transition (expected to be of first order), arising solely from the competition between quenched disorder and short-ranged interparticle interactions is identified…
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),…
Here, we study the surface electronic structure of 1T-VSe2 by means of angle resolved photoemission spectroscopy and uncover a dispersion-less emission located in the vicinity of the Fermi level. Its crystal momentum dependency reveals that…
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more…