相关论文: Ab initio calculation of Effective Work Functions …

We present a first-principles study of the structural, electronic, and optical properties of hydrogenated amorphous silicon (a-Si:H). To this end, atomic configurations of a-Si:H with 72 and 576 atoms respectively are generated using…

By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two dimensional (2D) nonmagnetic semiconductors from near 1000…

We explore the stability of structure exhibiting hybridization gaps across a broad range of binary and ternary intermetallic compositions by means of band structure and total energy calculations. This search reveals previously unknown…

We have used a simple, analytically solvable model to analyze the characteristic s of dual-gate metal-oxide-semiconductor field-effect transistors (MOSFETs) with 10-nm-scale channel length L. The model assumes ballistic dynamics of 2D…

We start from a six-band model describing the transition-metal t2g orbitals of half-metallic double perovskite systems, such as Sr2FeMoO6, in which only one of the transition metal ions (Fe) contains important intratomic repulsion Ufe. By…

We realized ambipolar Field-Effect Transistors by coupling exfoliated thin flakes of tungsten disulphide (WS2) with an ionic liquid-dielectric. The devices show ideal electrical characteristics, including very steep sub-threshold slopes for…

We have realized ambipolar ionic liquid gated field-effect transistors based on WS2 mono- and bilayers, and investigated their opto-electronic response. A thorough characterization of the transport properties demonstrates the high quality…

We report a systematic and accurate approach for deriving the bulk free energy surface (FES), a function of temperature, polarization, and strain, from the first-principles density functional theory (DFT) of proper ferroelectrics. The core…

In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of…

Accurate theoretical prediction of the band offsets at interfaces of semiconductor heterostructures can often be quite challenging. Although density functional theory has been reasonably successful to carry out such calculations and…

We determined the interface state density ($D_{\rm it}$) distributions in the vicinity of the conduction band edge in silicon carbide (SiC) metal-oxide-semiconductor (MOS) structures by reproducing the experimental current-voltage…

Integrated circuits (ICs) that can operate at high temperature have a wide variety of applications in the fields of automotive, aerospace, space exploration, and deep-well drilling. Conventional silicon-based complementary…

The class of regular transformations has several equivalent characterizations such as functional MSO transductions, deterministic two-way transducers, streaming string transducers, as well as regular transducer expressions (RTE). For…

The mobility of emerging (e.g., two-dimensional, oxide, organic) semiconductors is commonly estimated from transistor current-voltage measurements. However, such devices often experience contact gating, i.e., electric fields from the gate…

We reported here a high-performance In2O3/InZnO bilayer metal-oxide (BMO) thin-film transistor (TFT) using ultra-thin solution-processed ZrOx dielectric. A thin layer of In2O3 offers a higher carrier concentration, thereby maximizing the…

The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…

In this work, we have investigated the electronic structure and thermoelectric properties of quaternary heusler alloy, FeRuTiSi, using first principle DFT tools implemented in WIEN2k and BoltzTraP code. Electronic structure calculations…

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…

The iron-based LaFeAsO$_{1-x}$F$_x$ recently discovered by Hosono's group is a fresh theoretical challenge as a new class of high-temperature superconductors. Here we describe the electronic structure of the material and the mechanism of…

III-V heterostructure based high electron mobility transistors (HEMTs) offer superior performance as compared to CMOS silicon transistors owing to the high mobility in the 2D electron gas (2DEG) channel at the heterostructure interface.…