Related papers: Selective Fermi-Level Pinning: A Design Strategy f…
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…
The alignment of the Fermi level of a metal electrode within the gap of the highest occupied and lowest unoccupied orbital of a molecule is a key quantity in molecular electronics. Depending on the type of molecule and the interface…
We show that nanoscale doping profiles inside a nanocolumn in combination with Fermi-level pinning at the surface give rise to the formation of a saddle-point in the potential profile. Consequently, the lateral confinement inside the…
In 2D-semiconductor-based field-effect transistors and optoelectronic devices, metal-semiconductor junctions are one of the crucial factors determining device performance. The Fermi-level (FL) pinning effect, which commonly caused by…
We demonstrate a molecular rectifying junction made from a sequential self-assembly on silicon. The device structure consists of only one conjugated (p) group and an alkyl spacer chain. We obtain rectification ratios up to 37 and threshold…
We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…
We collect evidences on existence of microscopic solitons, and their determining role in electronic processes of quasi-1D conductors. The ferroelectric charge ordering gives access to several types of solitons in conductivity and…
We study the transport through a molecular junction exhibiting interference effects. We show that these effects can still be observed in the presence of molecular vibrations if Coulomb repulsion is taken into account. In the Kondo regime,…
Dream of developing molecule-based logic and memory device is more than 70-year-old. Presently, molecule-based devices are also considered for quantum computation hardware. The recent studies have shown the molecule connected to metal leads…
The splitting of quasi-Fermi levels (QFLs) represents a key concept utilized to describe finite-bias operations of semiconductor devices, but its atomic-scale characterization remains a significant challenge. Herein, the non-equilibrium QFL…
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi-infinite flat Au(111) electrodes, the highly coordinated…
Achieving highly transmitting molecular junctions through resonant transport at low bias is key to the next-generation low-power molecular devices. Although, resonant transport in molecular junctions was observed by connecting a molecule…
The tunneling junction between one-dimensional topological superconductor and integer (fractional) topological insulator (TI), realized via point contact, is investigated theoretically with bosonization technology and renormalization group…
For adjusting the charging state of a molecular metal complex in the context of a density functional theory description of coherent electron transport through single molecule junctions, we correct for self interaction effects by fixing the…
The electronic spectrum of a chemically contacted molecule in the junction of a scanning tunneling microscope can be modified by tip retraction. We analyze this effect by a combination of density functional, many-body perturbation and…
A topological superconductor, characterized by either a chiral order parameter or a chiral topological surface state in proximity to bulk superconductivity, is foundational to topological quantum computing. As in other topological phases of…
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…
Flexible Electronics (FE) have emerged as a promising alternative to silicon-based technologies, offering on-demand low-cost fabrication, conformality, and sustainability. However, their large feature sizes severely limit integration…
Pattern matching design verification has gained noticeable attention in semiconductor technologies as it can precisely identify more localized problematic areas (weakpoints) in the layout. To address these weakpoints, engineers adopt…
The role of electron-electron interaction in transport properties of open quantum dots is studied. The self-consistent full quantum mechanical magnetotransport calculations within the Hartree, Density Functional Theory and Thomas-Fermi…