Related papers: Single atom adhesion in optimized gold nanojunctio…
The quantum size oscillations of the energetic properties and the elongation force of the gold slabs and wires, isolated and in a contact with electrodes, are calculated in a free-electron model. A simple relation between the Fermi energy…
Functionalization of nanoporous metallic materials enables the tailoring of surface chemistry and morphology in nanostructured materials, optimising their performance for electrocatalytic and sensor applications. Liquid phase chemical…
We develop a computational method for evaluating the damping of vibrational modes in mono-atomic metallic chains suspended between bulk crystals under external strain. The damping is due to the coupling between the chain and contact modes…
Out-of-equilibrium electron-gas systems exhibit rich physics, which we explore through three problems. First, we study photoemission from metals, traditionally analyzed in the frequency domain. Unexpectedly, the photoemission rate…
We present results of electronic structure calculations for aluminium contacts of atomic size, based on density functional theory and the local density approximation. Addressing the atomic orbitals at the neck of the nanocontact, we find…
The conducting and thermodynamic properties of ballistic metallic nanocontacts with smooth shapes are investigated. All properties are related to the electronic scattering matrix, which is evaluated in the WKB approximation for independent…
Atomic scale friction, an indispensable element of nanotechnology, requires a direct access to, under actual growing shear stress, its successive live phases: from static pinning, to depinning and transient evolution, eventually ushering in…
We calculate quantum transport for metal-graphene nanoribbon heterojunctions within the atomistic self-consistent Schr\"odinger/Poisson scheme. Attention is paid on both the chemical aspects of the interface bonding as well the…
We present a tight-binding potential for transition metals, carbon, and transition metal carbides, which has been optimized through a systematic fitting procedure. A minimal basis, including the s, p electrons of carbon and the d electrons…
In this paper we continue our analysis of the interplay between the pairing and the non-Fermi liquid behavior in a metal for a set of quantum-critical models with an effective dynamical electron-electron interaction $V(\Omega_m) \propto…
The interaction between two $\Xi$-type three-level atoms and a single-mode cavity field in the intensity dependent coupling regime has been studied. Exact analytical solution of the wave function for the considered atoms-field system has…
We present two methods for characterization of motional-mode configurations that are generally applicable to the weak and strong-binding limit of single or multiple trapped atomic ions. Our methods are essential to realize control of the…
Stochastic properties of loading and loss mechanism in a few atom trap are analyzed. An approximate formula is derived for the atom-number correlation function for the trapped atoms in the limit of reasonably small two-atom loss rate.…
Tunnelling of material particles through a classically impenetrable barrier constitutes one of the hallmark effects of quantum physics. When interactions between the particles compete with their mobility through a tunnel junction,…
We show that controlled inelastic collisions can improve the single atom loading efficiency in the collisional blockade regime of optical microtraps. A collisional loss process where only one of the colliding atoms are lost, implemented…
We investigate the quantum many-body dynamics of bosonic atoms hopping in a two-leg ladder with strong on-site contact interactions. We observe that when the atoms are prepared in a staggered pattern with pairs of atoms on every other rung,…
Using a scanning tunneling microscope or mechanically controllable break junctions it has been shown that it is possible to control the formation of a wire made of single gold atoms. In these experiments an interatomic distance between…
We consider a single Rydberg atom having two degenerate levels interacting with the radiation field in a single-mode ideal cavity. The transition between the levels is carried out by a $\Lambda$-type degenerate two-photon process via a…
Tunneling is measured via the quantum levels of a metal nanoparticle. We analyze quantitatively the resonance energies, widths, and amplitudes, both in the regime where only one state is accessible for tunneling and in the non-equilibrium…
The interaction between metal atoms and nucleobases has been a topic of high interest due to the wide scientific and technological implications. Combining density functional theory simulations with a literature overview, we achieved an…