Related papers: Time-Dependent Dielectric Breakdown on Subnanomete…
We present an efficient and systematically convergent approach to all-electron real-time time-dependent density functional theory (TDDFT) calculations using a mixed basis, termed as enriched finite element (EFE) basis. The EFE basis…
Transition metal oxides such as vanadium dioxide (VO$_2$), niobium dioxide (NbO$_2$), and titanium sesquioxide (Ti$_2$O$_3$) are known to undergo a temperature-dependent metal-insulator transition (MIT) in conjunction with a structural…
We simulate the photodynamics of gas-phase cyclobutanone excited to the S$_2$ state using fewest switches surface hopping (FSSH) dynamics powered by time-dependent density functional theory (TDDFT). We predict a total C3+C2 photoproduct…
Narrow-channel accumulated body nMOSFET devices with p-type side-gates surrounding the active area have been electrically characterized between 100 and 400 K with varied side-gate biasing (Vside). The subthreshold slope (SS) and drain…
The main promise of tunnel FETs (TFETs) is to enable supply voltage ($V_{DD}$) scaling in conjunction with dimension scaling of transistors to reduce power consumption. However, reducing $V_{DD}$ and channel length ($L_{ch}$) typically…
This paper develops a quantitatively accurate first-principles description for the frequency and the linewidth of collective electronic excitations in inhomogeneous weakly disordered systems. A finite linewidth in general has intrinsic and…
Dielectric loss is known to limit state-of-the-art superconducting qubit lifetimes. Recent experiments imply upper bounds on bulk dielectric loss tangents on the order of $100$ parts-per-billion, but because these inferences are drawn from…
Tunneling field-effect transistors (TFETs) have gained a great deal of recent interest due to their potential to reduce power dissipation in integrated circuits. One major challenge for TFETs so far has been achieving high drive currents,…
We report on the design and demonstration of ultra-wide bandgap (UWBG) AlGaN-channel metal-insulator heterostructure field effect transistors (HEFTs) for high-power, high-frequency applications. We find that the integration of gate…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
The presence of interface states at the MOS interface is a well-known cause of device degradation. This is particularly true for ultra-scaled FinFET geometries where the presence of a few traps can strongly influence device behavior.…
We proposed a provably stable FDTD subgridding method for accurate and efficient transient electromagnetic analysis. In the proposed method, several field components are properly added to the boundaries of Yee's grid to make sure that the…
Localized molecular orbitals are often used for the analysis of chemical bonds, but they can also serve to efficiently and comprehensibly compute linear response properties. While conventional canonical molecular orbitals provide an…
Intrinsic breakdown strength (F_bd), as the theoretical upper limit of electric field strength that a material can sustain, plays important roles in determining dielectric and safety performance. The well accepted concept is that a larger…
To efficiently integrate cutting-edge terahertz technology into compact devices, the highly confined terahertz plasmons are attracting intensive attentions. Compared to plasmons at visible frequencies in metals, terahertz plasmons,…
Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an…
The control of the dielectric and conductive properties of device-level systems is important for increasing the efficiency of energy- and information-related technologies. In some cases, such as neuromorphic computing, it is desirable to…
Topological insulator field-effect transistors (TIFETs) built on 2-D quantum spin Hall insulators are being considered as advanced logic transistors due to their potentially superior performance originating from the dissipationless edge…
Electro-optic modulators are utilized ubiquitously ranging from applications in data communication to photonic neural networks. While tremendous progress has been made over the years, efficient phase-shifting modulators are challenged with…