Related papers: Effect of Exchange-Correlation Functionals on Scho…
First-principles calculations demonstrate the evolution of the band alignment at La0.7A0.3MnO3|La1-xAx|TiO2|SrTiO3(001) heterointerfaces, where A = Ca, Sr, or Ba, as the interfacial A-site composition, La1-Ax, is varied from x = 0.5 to x =…
Different machine learning (ML) models are proposed in the present work to predict DFT-quality barrier heights (BHs) from semiempirical quantum-mechanical (SQM) calculations. The ML models include multi-task deep neural network, gradient…
A new approximate method to calculate exchange-correlation contributions in the framework of first-principles tight-binding molecular dynamics methods has been developed. In the proposed scheme on-site (off-site) exchange-correlation matrix…
Hybrid heterostructure based phototransistors are attractive owing to their high gain induced by photogating effect. However, the absence of an in-plane built-in electric field in the single channel layer transistor results in a relatively…
Electronic stopping cross sections (SCS) of nickel, silicon and nickel-silicon alloys for protons and helium (He) ions are studied in the regime of medium and low energy ion scattering, i.e., for ion energies in the range from 500 eV to 200…
Switch-based hybrid beamforming (SW-HBF) architectures are promising for realizing massive multiple-input multiple-output (MIMO) communications systems because of their low cost and low power consumption. In this paper, we study the…
The metal-semiconductor contact is a major factor limiting the shrinking of transistor dimension to further increase device performance. In-plane edge contacts have the potential to achieve lower contact resistance due to stronger orbital…
We perform a first principles investigation of Si/ZnS interface properties for the [111], [100], and [110] directions, including single-substitution polar-compensated interfaces. The asymmetry of general interface directions poses known…
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…
Monolayers of transition metal dichalcogenides (TMDCs) exhibit excellent electronic and optical properties. However, the performance of these two-dimensional (2D) devices are often limited by the large resistance offered by the metal…
We study the impact of electrical contact barriers in hybrid WSe$_2$-LiNbO$_3$-based acoustoelectric and acousto-photoelectric devices using a combination of scanning photocurrent and acousto-electric current spectroscopy. Static scanning…
In order to develop a method to extract the parameters of the two inherent Schottky contacts from a single current-voltage (I-V) characteristic curve, the I-V characteristics of metal-semiconductor-metal (MSM) diodes with asymmetric…
Numerical simulations of high-speed forming and welding are of significant interest to industry, but are challenging due to the coupled physics and dynamic nature of the processes. With the advancement in hardware and computational…
By reversing the Schottky barrier-height asymmetry in hot-electron semiconductor-metal-semiconductor ballistic spin filtering spin detectors, we have achieved: 1. Demonstration of >50% spin polarization in silicon, resulting from…
Unusual features in the bias dependence of spin transport are observed in a Co/Au/NiFe spin valve fabricated on a highly textured Cu(100)/Si(100) Schottky interface, exploiting the local probing capabilities of a Ballistic electron magnetic…
Ferroelectric polar displacements have recently been observed in conducting electron-doped BaTiO3. The co-existence of a ferroelectric phase and conductivity opens the door to new functionalities which may provide a unique route for novel…
The electronic band structure in the epitaxial Fe/MgO/GaAs(001) tunnel junction has been studied by X-ray and ultraviolet photoelectron spectroscopy measurements. The Schottky barrier height (SBH) of Fe on MgO/GaAs heterostructure is…
The performance and scalability of silicon spin qubits depend directly on the value of the conduction band valley splitting. In this work, we investigate the influence of electromagnetic fields and the interface width on the valley…
Background: Several Time-Dependent Hartree-Fock-Bogoliubov (TDHFB) calculations predict that the super- fluidity enhances the fluctuations of the fusion barrier. This effect is not fully understood and not yet revealed experimentally.…
A quantum theory of the spin-dependent scattering of semiconductor electrons by a Schottky barrier at an interface with a ferromagnet is presented. The reflection of unpolarized non-equilibrium carriers produces spontaneous…