相关论文: Time-Dependent Dielectric Breakdown on Subnanomete…
This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…
Time-dependent electronic structure methods provide an efficient, accurate, and robust alternative to traditional time dependent methods for computing both linear and non-linear optical properties. With this in mind, we have developed the…
The execution of large deep neural networks (DNN) at mobile edge devices requires considerable consumption of critical resources, such as energy, while imposing demands on hardware capabilities. In approaches based on edge computing the…
We report the polarization-dependent electromagnetic response from a series of novel terahertz (THz) metasurfaces where asymmetry is introduced through the displacement of two adjacent metallic arms separated by a distance $\delta$. For all…
We calculate the dielectric response of crystalline silicon following irradiation by a high-intensity laser pulse, modeling the dynamics by time-dependent density functional theory (TDDFT). The pump-probe measurements are numerically…
Thickness engineered tunneling field-effect transistors (TE-TFET) as a high performance ultra-scaled steep transistor is proposed. This device exploits a specific property of 2D materials: layer thickness dependent energy bandgap (Eg).…
We study the temporal behavior of topological quantum fluids with strong long-range couplings under slow external perturbations, whose rate $\delta$ approaches the quasi-static limit $\delta\to 0$. As expected, due to strong long-range…
Empirical tight binding(ETB) methods are widely used in atomistic device simulations. Traditional ways of generating the ETB parameters rely on direct fitting to bulk experiments or theoretical electronic bands. However, ETB calculations…
With the widespread use of power electronic devices, modern distribution networks are turning into flexible distribution networks (FDNs), which have enhanced active and reactive power flexibility at the transmission-distribution-interface…
Within the framework of time-dependent density-functional theory (TDDFT), we derive the dynamical linear response of LDA+U functional and benchmark it on NiO, a prototypical Mott insulator. Formulated using real-space Wannier functions, our…
We propose a self-consistent site-dependent Hubbard $U$ approach for DFT+$U$ calculations of defects in complex transition-metal oxides, using Hubbard parameters computed via linear-response theory. The formation of a defect locally…
As a crucial element for various applications, including optical communications and analog photonic links, electro-optic modulators have a small size, low voltage, and wide bandwidth. Electro-optic modulators based on the thin-film lithium…
We develop a diffuse-interface continuum model for membrane electroporation that couples a phase field for pore geometry to a quasi-static electrolyte potential and a spatially varying leaky-dielectric model for the transmembrane voltage.…
We report on the demonstration of a deep sub-micron normally-off AlGaN/GaN HEMT with high on-current and high threshold voltage (VTH). The high-performance device was realized by utilizing a gate recess with length and depth of 200 nm and…
We have measured the excited state lifetimes in Josephson junction phase and transmon qubits, all of which were fabricated with the same scalable multi-layer process. We have compared the lifetimes of phase qubits before and after removal…
We perform model-independent analyses extracting limits for the electric dipole moment of the electron and the P,T-odd scalar-pseudoscalar (S-PS) nucleon-electron coupling from the most recent measurements with atoms and molecules. The…
Quantum embedding schemes have the potential to significantly reduce the computational cost of first principles calculations, whilst maintaining accuracy, particularly for calculations of electronic excitations in complex systems. In this…
Superconducting coplanar waveguide resonators are essential components in quantum processors, where their internal quality factor (Qi) constrains qubit coherence and readout fidelity. In niobium devices, microwave losses at millikelvin…
Multipole moments are the first order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory (DFT) prediction of molecular multipole moments thus characterizes errors in…
Fermi-level pinning (FLP) effect was widely observed in thin-film transistors (TFTs) with van der Waals (vdW) layered semiconductors (organic or two-dimensional) when contact electrodes were thermally evaporated1-3. Intensive investigation…