相关论文: Surface Passivation in Empirical Tight Binding

This paper presents the design of a vertical structure terahertz field emission transistor that utilizes a high-angle oblique deposition method to form a self-packaged vacuum microcavity. The simulation demonstrates that the self-packaged…

A newly developed fast molecular-dynamics method is applied to BaTiO3 ferroelectric thin-film capacitors with short-circuited electrodes or under applied voltage. The molecular-dynamics simulations based on a first-principles effective…

Nanometer-scale surface chemistry limits the performance of SRF cavities and quantum circuits. We present an ab initio framework connecting DFT interfacial energetics with strong-coupling Eliashberg theory for capped Nb and Ta surfaces.…

Tantalum is a promising platform for superconducting quantum circuits, yet coherence times remain limited by dielectric losses from interfacial two-level systems (TLS), exacerbated by native oxide regrowth. Here, we implement molecular…

We describe a many-body quantum system which can be made to quantum compute by the adiabatic application of a large applied field to the system. Prior to the application of the field quantum information is localized on one boundary of the…

Pauli spin blockade (PSB) can be employed as a great resource for spin qubit initialisation and readout even at elevated temperatures but it can be difficult to identify. We present a machine learning algorithm capable of automatically…

Using large scale molecular dynamics simulations, we study the thermal conductivity of bare and surface passivated silicon nanowires (SiNWs). For the cross-sectional widths $w \le 2$ nm, SiNWs become unstable because of the surface…

The Empirical Valence Bond (EVB) method offers a suitable framework to obtain reactive potentials through the coupling of non-reactive force fields. However, most of the implemented functional forms for the coupling terms depend on complex…

We investigate theoretically systems of ions in segmented linear Paul traps for the quantum simulation of quantum spin models with tunable interactions. The scheme is entirely general and can be applied to the realization of arbitrary…

Physics based numerical simulation has been carried out to probe the sub-gap density of states (DOS) and underlying electron transport properties of amorphous oxide based thin film transistors (TFTs). The DOS model of TFTs consists of…

We introduce a system-independent method to derive effective atomic C$_6$ coefficients and polarizabilities in molecules and materials purely from charge population analysis. This enables the use of dispersion-correction schemes in…

The prevalent approach to executing quantum algorithms on quantum computers is to break-down the algorithms to a concatenation of universal gates, typically single and two-qubit gates. However such a decomposition results in long gate…

The quantum Rabi model, involving a two-level system and a bosonic field mode, is arguably the simplest and most fundamental model describing quantum light-matter interactions. Historically, due to the restricted parameter regimes of…

The control of internal and motional quantum degrees of freedom of laser cooled trapped ions has been subject to intense theoretical and experimental research for about three decades. In the realm of quantum information science the ability…

Justification of tight-binding model from Schroedinger formalism for various topologies of position-based semiconductor qubits is presented in this work. Simplistic tight-binding model allows for description of single-electron devices at…

In a recent experiment, Barreiro et al. demonstrated the fundamental building blocks of an open-system quantum simulator with trapped ions [Nature 470, 486 (2011)]. Using up to five ions, single- and multi-qubit entangling gate operations…

In haptics, guaranteeing stability is essential to ensure safe interaction with remote or virtual environments. One of the most relevant methods at the state-of-the-art is the Time Domain Passivity Approach (TDPA). However, its high…

We propose a control approach for a class of nonlinear mechanical systems to stabilize the system under study while ensuring that the oscillations of the transient response are reduced. The approach is twofold: (i) we apply our technique…

We propose a new kind of toroidal trap, designed for ultracold atoms. It relies on a combination of a magnetic trap for rf-dressed atoms, which creates a bubble-like trap, and a standing wave of light. This new trap is well suited for…

Symmetries play a crucial role in the classification of topological phases of matter. Although recent studies have established a powerful framework to search for and classify topological phases based on symmetry indicators, there exists a…