Electronic Structures of Monolayer Binary and Ternary 2D Materials: MoS2, WS2, Mo1-xCrxS2, and W1-xCrxS2 Using Density Functional Theory Calculations.

Two-dimensional (2D) materials with binary compounds, such as transition-metal chalcogenides, have emerged as complementary materials due to their tunable band gap and modulated electrical properties via the layer number. Ternary 2D materials are promising in nanoelectronics and optoelectronics. According to the calculation of density functional theory, in this work, we study the electronic structures of ternary 2D materials: monolayer Mo1-xCrxS2 and W1-xCrxS2. They are mainly based on monolayer molybdenum disulfide and tungsten disulfide and have tunable direct band gaps and work functions via the different mole fractions of chromium (Cr). Meanwhile, the Cr atoms deform the monolayer structures and increase their thicknesses. Induced by different mole fractions of Cr material, energy band diagrams, the projected density of states, and charge transfers are further discussed.

Characteristic Fluctuations of Dynamic Power Delay Induced by Random Nanosized Titanium Nitride Grains and the Aspect Ratio Effect of Gate-All-Around Nanowire CMOS Devices and Circuits.

In this study, we investigate direct current (DC)/alternating current (AC) characteristic variability induced by work function fluctuation (WKF) with respect to different nanosized metal grains and the variation of aspect ratios (ARs) of channel cross-sections on a 10 nm gate gate-all-around (GAA) nanowire (NW) metal-oxide-semiconductor field-effect transistor (MOSFET) device. The associated timing and power fluctuations of the GAA NW complementary metal-oxide-semiconductor (CMOS) circuits are further estimated and analyzed simultaneously. The experimentally validated device and circuit simulation running on a parallel computing system are intensively performed while considering the effects of WKF and various ARs to access the device's nominal and fluctuated characteristics. To provide the best accuracy of simulation, we herein calibrate the simulation results and experimental data by adjusting the fitting parameters of the mobility model. Transfer characteristics, dynamic timing, and power consumption of the tested circuit are calculated using a mixed device-circuit simulation technique. The timing fluctuation mainly follows the trend of the variation of threshold voltage. The fluctuation terms of power consumption comprising static, short-circuit, and dynamic powers are governed by the trend that the larger the grain size, the larger the fluctuation.