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

The electronic properties of a field-effect transistor with two different structures of MoSi$_2$N$_4$ and WSi$_2$N$_4$ monolayers as the channel material in the presence of biaxial strain are investigated. The band structures show that…

Van der Waals heterostructures of two-dimensional transition metal dichalcogenides provide a unique platform to engineer optoelectronic devices tuning their optical properties via stacking, twisting, or straining. Using ab initio Many-Body…

The excitation energies and ionization potentials of the atoms in the first transition series are notoriously difficult to compute accurately. Errors in calculated excitation energies can range from 1--4 eV at the Hartree-Fock level, and…

In the present work, we have investigated the performances of L shaped Vertical broken bandgapheterostructureInSb InAsn-channel tunnel field effect transistors TFETs of 4 nm thin channel structures with the gate lengths of 20nm. We have…

We describe recent progress in developing practical ab initio methods for which the computer effort is proportional to the number of atoms: linear scaling or O(N) methods. It is shown that the locality property of the density matrix gives a…

Using 2-D self-consistent ballistic quantum transport simulations, we investigate the short-channel behavior of graphene field-effect transistors and its impact on the device transconductance and subsequently the intrinsic cut-off frequency…

Channel conductance measurements can be used as a tool to study thermally activated electron transport in the sub-threshold region of state-of-art FinFETs. Together with theoretical Tight-Binding (TB) calculations, this technique can be…

High frequency performance limits of graphene field-effect transistors (FETs) down to a channel length of 20nm are examined by using self-consistent quantum simulations. The results indicate that although Klein band-to-band tunneling is…

An effective tight-binding (TB) Hamiltonian for monolayer GeSnH$_2$ is proposed which has an inversion-asymmetric honeycomb structure. The low-energy band structure of our TB model agrees very well with previous {\it ab initio} calculations…

We calculate the transverse effective charges of zincblende compound semiconductors using Harrison's tight-binding model to describe the electronic structure. Our results, which are essentially exact within the model, are found to be in…

Ferroelectric field-effect-transistor (FEFET) has emerged as a scalable solution for 3D NAND and embedded flash (eFlash), with recent progress in achieving large memory window (MW) using metal-insulator-ferroelectric-insulator-semiconductor…

The accurate prediction of the electronic properties of materials at a low computational expense is a necessary conditions for the development of effective high-throughput quantum-mechanics (HTQM) frameworks for accelerated materials…

The search for large band gap systems with dissipationless edge states is essential to developing materials that function under a wide range of temperatures. Two-dimensional (2D) topological insulators (TIs) have recently attracted…

Here, we experimentally demonstrate an Indium Tin Oxide (ITO) Mach-Zehnder interferometer heterogeneously integrated in silicon photonics. The phase shifter section is realized in a novel lateral MOS configuration, which, due to favorable…

The structural and electronic properties of zinc-blende (ZB) GaAs were calculated within the framework of plane wave density-functional theory (DFT) code JDFTx by using Becke 86 in 2D and PBE exchange correlation functionals from libXC. The…

The package "fhi96md" is an efficient code to perform density-functional theory total-energy calculations for materials ranging from insulators to transition metals. The package employs first-principles pseudopotentials, and a plane-wave…

We present an approach to calculate ballistic phonon transport that combines the atomistic Green's function (AGF) method with ab initio results. For the inter atomic potential we use the harmonic approach. The equilibrium positions of the…

A method is presented for first-principles calculations of inelastic mean free paths and stopping powers in condensed matter over a broad energy range. The method is based on {\it ab initio} calculations of the dielectric function in the…

The synthesis of transition metal heterostructures is currently one of the most vivid fields in the design of novel functional materials. In this paper we propose a simple scheme to predict \emph{band alignment }and \emph{charge transfer}…

We present in this work the calibration procedure and a performance study of long scintillator bars used for the time-of-flight (TOF) measurement in the HADES experiment. The digital front-end electronics installed at the TOF detector…