Related papers: Geometry Effects at Atomic-Size Aluminium Contacts
The variation in the quasiparticle weight $Z$ on moving around the fermi surface in correlated metals is studied theoretically. Our primary example is a heavy Fermi liquid treated within the standard hybridization mean field theory. The…
Including on-site electronic interactions described by the multi-orbital Hubbard model we study the correlation effects in the electronic structure of bulk palladium. We use a combined density functional and dynamical mean field theory,…
Rechargeable batteries that incorporate shaped three-dimensional electrodes have been shown to have increased power and energy densities for a given footprint area when compared to a conventional geometry, i.e., a planar cathode and anode…
The correlation between transport properties across sub-nanometric metallic gaps and the optical response of the system is a complex effect which is determined by the fine atomic-scale details of the junction structure. As experimental…
Graphene is an attractive electrode material to contact nanostructures down to the molecular scale since it can be gated electrostatically. Gating can be used to control the doping and the energy level alignment in the nanojunction, thereby…
We investigate the possibility of electron pairing in small metallic nanoparticles at zero temperature. In these particles both electrons and phonons are mesoscopic, i.e. modified by the nanoparticle's finite size. The electrons, the…
We theoretically study the effect of electron-electron interactions in one-dimensional partially mixed helical states. These helical states can be realized at the edges of two-dimensional topological insulators with partially broken…
The quantum dynamics of carriers bound to helical tube surfaces is investigated in a thin-layer quantization scheme. By numerically solving the open-boundary Schr$\ddot{\rm o}$dinger equation in curvilinear coordinates, geometric effect on…
First-principles calculations reported here illuminate the effects of the interfacial properties of $\alpha$-Al$_{2}$O$_{3}$ and graphene, with emphasis on the structural and electronic properties. Various contact interfaces and different…
Polarization dynamics and domain structure evolution in ferroelectric Al$_{0.93}$B$_{0.07}$N are studied using piezoresponse force microscopy and spectroscopies in ambient and controlled atmosphere environments. The application of negative…
The anti-proximity effect, where the superconductivity in superconducting nanowires is suppressed or weakened when contacted by bulk superconducting electrodes, first revealed in arrays of Zn nanowires by tuning the electrodes from the…
Using ab initio calculations, we study the electronic and structural properties of vacancies and hydrogen adsorbates on trilayer graphene. Those defects are found to share similar low-energy electronic features, since they both remove a pz…
In molecular electronic conduction, exotic lattice morphologies often give rise to exotic behaviors. Among 2D systems, graphene is a notable example. Recently, a stable amorphous version of graphene called Monolayer Amorphous Carbon (MAC)…
We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…
Atomic contacts made of ferromagnetic metals present zero-bias anomalies in the differential conductance due to the Kondo effect. These systems provide a unique opportunity to perform a statistical analysis of the Kondo parameters in…
We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive…
Metal-oxide interfaces with poor coherency have unique properties comparing to the bulk materials and offer broad applications in the fields of heterogeneous catalysis, battery, and electronics. However, current understanding of the…
The continuing miniaturization of microelectronics raises the prospect of nanometre-scale devices with mechanical and electrical properties that are qualitatively different from those at larger dimensions. The investigation of these…
We report the effect of Mn site substitution of Al on the structural, magnetic and transport properties of charge ordered Pr{_0.5}Ca{_0.5}MnO{_3}. This substitution introduces impurities in the Mn-O-Mn network, causes the Mn{^3+}/Mn{^4+}…
We investigate spin effects in transport across fully interacting, finite size graphene armchair nanoribbons (ACNs) contacted to collinearly spin-polarized leads. In such systems, the presence of short ranged Coulomb interaction between…