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Density functionals at the level of the Generalized Gradient Approximation (GGA) and a plane-wave basis set are widely used today to perform ab initio molecular dynamics (AIMD) simulations. Going up in the ladder of accuracy of density…

Computational Physics · Physics 2021-10-18 Sagarmoy Mandal , Ritama Kar , Tobias Kloeffel , Bernd Meyer , Nisanth N. Nair

Radiation-tolerant, high speed, high density and low power commercial off-the-shelf (COTS) analog-to-digital converters (ADCs) are planned to be used in the upgrade to the Liquid Argon (LAr) calorimeter front end (FE) trigger readout…

Instrumentation and Detectors · Physics 2014-03-07 Xueye Hu , Hucheng Chen , Kai Chen , Joseph Mead , Shubin Liu , Qi An

We report precise TCAD simulations of IHEP-IME-v1 Low Gain Avalanche Diode (LGAD) calibrated by secondary ion mass spectroscopy (SIMS). Our setup allows us to evaluate the leakage current, capacitance, and breakdown voltage of LGAD, which…

In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT+U). The intrinsic point…

The role of thermal effects in the focused electron beam induced deposition (FEBID) process of Me$_2$Au(tfac) is studied by means of irradiation-driven molecular dynamics simulations. The FEBID of Me$_2$Au(tfac), a commonly used precursor…

Materials Science · Physics 2023-09-06 Alexey Prosvetov , Alexey V. Verkhovtsev , Gennady Sushko , Andrey V. Solov'yov

Quantum dots connected to larger systems containing a continuum of states like charge reservoirs allow the theoretical study of many-body effects such as the Coulomb blockade and the Kondo effect. Here, we analyze the nonequilibrium Kondo…

Mesoscale and Nanoscale Physics · Physics 2020-01-31 Levente Máthé , Ioan Grosu

Based on numerically-optimized real-device gates and parameters we study the performance of the phase-flip (repetition) code on a linear array of Gallium Arsenide (GaAs) quantum dots hosting singlet-triplet qubits. We first examine the…

Quantum Physics · Physics 2020-08-26 Manuel Rispler , Pascal Cerfontaine , Veit Langrock , Barbara M. Terhal

Using the asymptotic iteration method (AIM) we investigate the variation in the 1s energy levels of hydrogen and helium-like static ions in fully degenerate electron gas. The semiclassical Thomas-Fermi (TF), Shukla-Eliasson (SE) and…

Quantum Gases · Physics 2020-04-22 M. Akbari-Moghanjoughi , Alireza Abdikian , Arash Phirouznia

Recent advances in scanning transmission electron microscopy (STEM) allow to observe solid-state transformations and reactions in materials induced by thermal stimulus or electron beam on the atomic level. However, despite the rate at which…

Materials Science · Physics 2019-11-26 Maxim Ziatdinov , Ondrej Dyck , Stephen Jesse , Sergei V. Kalinin

Laser-induced electron diffraction is an evolving tabletop method, which aims to image ultrafast structural changes in gas-phase polyatomic molecules with sub-{\AA}ngstr\"om spatial and femtosecond temporal resolution. Here, we provide the…

Detailed experimental studies of the conductance of mesoscopic GaAs devices in the few-mode regime reveal a novel thermal effect: for temperatures up to at least 10 K the measured gate characteristics, i.e. conductance $G$ versus gate…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 A. E. Hansen , A. Kristensen , H. Bruus

Gallium Arsenide and related compound semiconductors lie at the heart of optoelectronics and integrated laser technologies. Shaped at the micro and nano-scale, they allow strong interaction with quantum dots and quantum wells, and promise…

Fe-doped III-V ferromagnetic semiconductors (FMSs) such as (In,Fe)As, (Ga,Fe)Sb, (In,Fe)Sb, and (Al,Fe)Sb are promising materials for spintronic device applications because of the availability of both n- and p-type materials and the high…

Ab-initio dynamical simulation is used to study the liquid Ga-Se system at the three concentrations Ga$_2$Se, GaSe and Ga$_2$Se$_3$ at the temperature 1300~K. The simulations are based on the density functional pseudopotential technique,…

mtrl-th · Physics 2009-10-28 J. M. Holender , M. J. Gillan

We demonstrate a gate dielectric engineering approach leveraging an ultrathin, atomic layer deposited (ALD) silicon oxide interfacial layer (SiL) between the amorphous oxide semiconductor (AOS) channel and the high-k gate dielectric. SiL…

We use a self-assembled two-dimensional Coulomb crystal of $\sim 70$ ions in the presence of an external transverse field to engineer a quantum simulator of the Dicke Hamiltonian. This Hamiltonian has spin and bosonic degrees of freedom…

Quantum chemistry is a promising application in the era of quantum computing since the unique effects of quantum mechanics that take exponential growing resources to simulate classically are controllable on quantum computers. Fermionic…

Quantum Physics · Physics 2024-12-11 Shaobo Zhang , Akib Karim , Harry M. Quiney , Muhammad Usman

As human activities expand into naturally or man-made radiation-prone environment, the need for radiation-hardened (Rad-Hard) electronic hardware surged. The state-of-the-art silicon-based and two-dimensional (2D) materials based Rad-Hard…

Materials Science · Physics 2021-10-15 Di Chen , Jiankun Li , Zheng Wei , Xinjian Wei , Maguang Zhu , Jing Liu , Guangyu Zhang , Zhiyong Zhang , Jian-Hao Chen

The presence of a point defect typically breaks the stoichiometry in a semiconductor. For example, a vacancy on an A-site in an AB compound makes the crystal B-rich. As the stoichiometry changes, so do the chemical potentials. While the…

Materials Science · Physics 2021-02-22 Yaxian Wang , Wolfgang Windl

Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…

Materials Science · Physics 2025-09-16 Konrad Sakowski , Paweł Strak , Stanislaw Krukowski