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Understanding the process of electron tunneling in chirality-induced single-molecule junctions is imperative for the development of nanoscale switching and artificial nanomotors. Based on the combined non-equilibrium Green functions…
A new mechanism is proposed to explain the origin of negative differential resistance (NDR) in a strongly coupled single molecule-metal junction. A first-principles quantum transport calculation in a Fe-terpyridine linker molecule…
We investigate the impact of two-level systems (TLSs) on superconductivity, treating them as soft modes localised in real space. We show that these defects can either enhance or suppress the superconducting critical temperature, depending…
Cluster-assembled metallic films show interesting electrical properties, both in the near-to-percolation regime, when deposited clusters do not form a complete layer yet, and when the film thickness is well above the electrical percolation…
Two-level system (TLS) defects constitute a major decoherence source of quantum information science, but they are generally less understood at material interfaces than in deposited films. Here we study surface TLSs at the metal-air…
Nano-junctions, containing atomic-scale gold contacts between strongly disordered leads, exhibit different transport properties at room temperature and at low temperature. At room temperature, the nano-junctions exhibit conductance…
Tunneling two level systems (TLSs) are believed to be the source of phenomena such as the universal low temperature properties in disordered and amorphous solids, and $1/f$ noise. The existence of these phenomena in a large variety of…
The two-dimensional electron gas at the LaTiO3/SrTiO3 or LaAlO3/SrTiO3 oxide interfaces becomes superconducting when the carrier density is tuned by gating. The measured resistance and superfluid density reveal an inhomogeneous…
While several experiments claim that two-level system (TLS) defects in amorphous surfaces/interfaces are responsible for energy relaxation in superconducting resonators and qubits, none can provide quantitative explanation of their data in…
Two-level systems (TLS) in native Nb and Ta oxides limit superconducting-qubit coherence and SRF-cavity quality factors in the microwave frequency range, yet their microscopic origin remains unclear. We combine MLIP-accelerated sampling of…
We perform ab initio calculations of hydrogen-based tunneling defects in alumina to identify deleterious two-level systems (TLS) in superconducting qubits. The defects analyzed include bulk hydrogenated Al vacancies, bulk hydrogen…
We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…
The formation and rupture of atomic-sized contacts is modelled by means of molecular dynamics simulations. Such nano-contacts are realized in scanning tunnelling microscope and mechanically controlled break junction experiments. These…
Thermal transport properties of amorphous materials at low temperatures are governed by the interaction between phonons and localized excitations referred to as tunneling two level systems (TLS). The temperature variation of the thermal…
Motivated by recent experiments, we study the variability of the thermal conductance of single dithiolated alkane molecules of varying length connecting two gold electrodes. For this purpose, we examine (i) the influence of the…
Devices made of few molecules constitute the miniaturization limit that both inorganic and organic-based electronics aspire to reach. However, integration of millions of molecular junctions with less than 100 molecules each has been a long…
One of the ultimate goals of molecular electronics is to create technologies that will complement - and eventually supersede - Si-based microelectronics technologies. To reach this goal, electronic properties that mimic at least some of the…
We study dissipation in Pd nano-mechanical resonators at low temperatures in the linear response regime. Metallic resonators have shown characteristic features of dissipation due to tunneling two level systems (TLS). This system offers a…
We examine theoretically the effects of the bonding geometries at the gold-thiol interfaces on the inelastic tunneling spectra of propanedithiolate (PDT) molecules bridging gold electrodes and show that inelastic tunneling spectroscopy…
Many experiments have shown that the conductance histograms of metallic atomic-sized contacts exhibit a peak structure, which is characteristic of the corresponding material. The origin of these peaks still remains as an open problem. In…