Related papers: Surface Passivation in Empirical Tight Binding
We report on a novel scheme to perform efficient simulations of Scanning Tunneling Microscopy (STM) of molecules weakly bonded to surfaces. Calculations are based on a tight binding (TB) technique including self-consistency for the molecule…
Wave absorption in time-invariant, passive thin films is fundamentally limited by a trade-off between bandwidth and overall thickness. In this work, we investigate the use of temporal switching to reduce signal reflections from a thin…
This paper discusses the transmission line pulse (TLP) analysis, generally used for electrostatic discharge (ESD) device characterization, as high potential usable tool also for non-ESD structures. TLP technique, combined with DC and pulsed…
This paper proposes a generalized passivity sensitivity analysis for power system stability studies. The method uncovers the most effective instability mitigation actions for both device-level and system-level investigations. The particular…
Thin-film transistors (TFTs) represent a wide-spread tool to determine the charge-carrier mobility of materials. Mobilities and further transistor parameters like contact resistances are commonly extracted from the electrical…
Linear and non-linear transport properties through an atomic-size point contact based on oxides two-dimensional electron gas is examined using the tight-binding method and the $\mathbf{k\cdot p}$ approach. The ballistic transport is…
The present work addresses the simulation of pore emptying during the drying of battery electrodes. For this purpose, a model based on the multiphase-field method (MPF) is used, since it is an established approach for modeling and…
We introduce a model reduction approach for linear time-invariant second order systems based on positive real balanced truncation. Our method guarantees asymptotic stability and passivity of the reduced order model as well as the positive…
This study investigates the use of Atomic Layer deposition (ALD) to mitigate multipacting phenomena inside superconducting radio frequency (SRF) cavities used in particle accelerators. The unique ALD capability to control the film thickness…
Extensible quantum computing architectures require a large array of quantum devices operating with low error rates. A quantum processor based on superconducting quantum bits can be scaled up by stacking microchips that each perform…
Strain engineering has recently been explored to improve tunnel field-effect transistors (TFETs). Here, we report design and performance of strained ultra-thin-body (UTB) III-V TFETs by quantum transport simulations. It is found that for an…
We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
Trapped ions offer long coherence times and high fidelity, programmable quantum operations, making them a promising platform for quantum simulation of condensed matter systems, quantum dynamics, and problems related to high-energy physics.…
We study a 4-orbital tight-binding (TB) model for ZrSiS from the square sublattice generated by the Si atoms. After studying three other alternatives, we endow such model with a new effective spin-orbit coupling (SOC) consistent with {\em…
A promising route to novel quantum technologies are hybrid quantum systems, which combine the advantages of several individual quantum systems. We have realized a hybrid atomic-mechanical experiment consisting of a SiN membrane oscillator…
This note shows how quantum entanglement may be simulated in classical computing. The simulated entanglement protocol is implemented using oblivious transfer in the simplest case and other many-to-one mappings in more general cases. For the…
We present the first successful trapping of single erbium atoms in an array of optical tweezers. Using a single narrow-line optical transition, we achieve deep cooling for direct tweezer loading, pairwise ejection, and continous imaging…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
Transient stability analysis (TSA) plays an important role in power system analysis to investigate the stability of power system. Traditionally, transient stability analysis methods have been developed using time domain simulation by means…