Related papers: First time calculation of the depletion region wid…
Based on the Gauss law for the electric field, a new integral formula is deduced together with one of its possible applications, in the area of semiconductor junctions, specifically an analytical formula for the built-in potential of…
A junction between an n- and p-type semiconductor results in the creation of a depletion region whose properties are at the basis of nowadays electronics. If realized using topological insulators as constituent materials, p-n junctions are…
Using a first-principle pseudopotential approach, we have investigated the Schottky barrier heights of abrupt Al/Ge, Al/GaAs, Al/AlAs, and Al/ZnSe (100) junctions, and their dependence on the semiconductor chemical composition and surface…
We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…
A systematic treatment of graphene-semiconductor junction is presented. Finite density of states at the Fermi level of graphene leads to exotic electronic properties at graphene-semiconductor interface. Quite generally, the Schottky-Mott…
We propose accurate computable error bounds for quantities of interest in plane-wave electronic structure calculations, in particular ground-state density matrices and energies, and interatomic forces. These bounds are based on an…
The Schottky barrier height (SBH) is mapped with nanoscale resolution at pure Au/Si(001) and mixed Au/Ag/Si(001) interfaces utilizing ballistic electron emission microscopy (BEEM) by acquiring and fitting spectra every 11.7 nm over a 1…
Using current-voltage (I-V) and capacitance-voltage (C-V) measurements, we report on the unusual physics and promising technical applications associated with the formation of Schottky barriers at the interface of a one-atom-thick zero-gap…
We report extensive self-consistent calculations of jellium surface energies, by going beyond the local-density approximation. The density-response function of a bounded free-electron gas is evaluated within the random-phase approximation,…
We present ab-initio local density FLAPW calculations on non-reactive N-terminated [001] ordered GaN/Ag and GaN/Au interfaces and compare the results (such as metal induced gap states and Schottky barrier heights) with those obtained for…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
The classical Shockley boundary conditions are used for the determination of the minority carrier concentrations at the edges of the space-charge region of semiconductor p-n junctions. They are usually employed for the calculation of the…
We develop a new fully quantum method for determination of widths for nuclear decay by proton emission where multiple internal reflections of wave packet describing tunneling process inside proton--nucleus radial barrier are taken into…
We present a boundary integral method for numerical computation of the capacity of generalized condensers. The presented method applies to a wide variety of generalized condenser geometry including the cases when the plates of the…
An outstanding problem in the theory of nuclear fission is understanding the Hamiltonian dynamics at the scission point. Here we apply the Generator Coordinate Method to calculate decay widths for pre-scission configurations into the…
An inherent difficulty in studying mesoscopic effects in semiconductor--superconductor hybrid structures is the large Schottky barrier which often forms at the interface. A large technological effort has been invested in in improving the…
We present fission-barrier-height calculations for nuclei throught the Periodic Table based on a realistic macroscopic-microscopic model. Compared to other calculations: (1) we use a deformation space of sufficiently high dimension, sampled…
Schottky barrier height and the ideality factor $\eta$ are established for the first time in the single phase (Ga,Mn)N using a vertical geometry device. The material has been heteroepitaxially grown on commercially available low threading…
The DFT-1/2 method in density functional theory [L. G. Ferreira et al., Phys. Rev. B 78, 125116 (2008)] aims to provide accurate band gaps at the computational cost of semilocal calculations. The method has shown promise in a large number…
We develop a first-principles theory for Schottky barrier physics. The Poisson equation is solved completely self-consistently with the electrostatic charge density and outside the normal density functional theory (DFT) electronic structure…