Related papers: Effect of Exchange-Correlation Functionals on Scho…
The bulk-disclination correspondence (BDC) is a fundamental concept in Hermitian systems that has been widely applied to predict disclination states. Recently, disclination states have also been observed and experimentally verified in…
The theory of charge and spin transport in forward-biased Schottky barriers reveals characteristic and experimentally relevant features. The conductance mismatch is found to enhance the current induced spin-imbalance in the semiconductor.…
Due to large difference in effective masses of light and heavy holes it is usually supposed that the above-barrier current in Schottky barriers on p-type semiconductor is controlled only by the heavy holes. However, in real structures,…
Contact resistance is a severe performance bottleneck for electronic devices based on two-dimensional layered (2D) semiconductors, whose contacts are Schottky rather than Ohmic. Although there is general consensus that the injection…
First-principles full-potential linearized augmented plane wave (FLAPW) calculations are performed to clarify the role of the interface geometry on piezoelectric fields and on potential line-ups at the [0001]-wurtzite and [111]-zincblende…
Organic semiconductors based on small conjugated molecules generally behave as insulators when undoped, but the hetero-interfaces of two such materials can show electrical conductivity as large as in a metal. Although charge transfer is…
MoS2 is a layered two-dimensional material with strong spin-orbit coupling and long spin lifetime, which is promising for electronic and spintronic applications. However, because of its large band gap and small electron affinity, a…
The hot-electron attenuation length in Ni is measured as a function of energy across two different Schottky interfaces viz. a polycrystalline Si(111)/Au and an epitaxial Si(111)/NiSi_2 interface using ballistic electron emission microscopy…
Perovskite solar cells (PSCs) based on methylammonium lead iodide (MAPbI3) exhibit remarkable photovoltaic performance, where interface engineering with hole transport layers (HTLs) is crucial for optimizing charge transfer and device…
We simulate the electron transport across the Au(111)-pentacene interface using non-equilibrium Green's functions and density-functional theory (NEGF-DFT), and calculate the bias-dependent electron transmission. We find that the electrical…
600V/20A 4H-SiC Schottky barrier diodes (SBD) were fabricated to investigate the effect of key processing steps, especially before and after a formation of Schottky contact, on the electrical performances of SBD and on a long-term…
Implementing spin functionalities in Si, and understanding the fundamental processes of spin injection and detection, are the main challenges in spintronics. Here we demonstrate large spin polarizations at room temperature, 34% in n-type…
We study several approaches to orbital optimization in selected configuration interaction plus perturbation theory (SCI+PT) methods, and test them on the ground and excited states of three molecules using the semistochastic heatbath…
We present and compare three distinct atomistic models -- based on first principles and semi-empirical approaches -- of the structural and electronic properties of Ge$_{1-x}$Sn$_{x}$ alloys. Density functional theory calculations…
In this work, we present an investigation of the Ag-PPP (polyparaphenylene) interface using ballistic electron emission microscopy. Our work is the first successful application of the BEEM technique to metal-organic interfaces. We observe…
The electrical behavior of Ni Schottky barrier formed onto heavily doped (ND>1019 cm-3) n-type phosphorous implanted silicon carbide (4H-SiC) was investigated, with a focus on the current transport mechanisms in both forward and reverse…
We provide a theoretical analysis of recently measured fusion cross sections which show a surprising enhancement at low $E_\mathrm{c.m.}$ energies for the system $^{132}$Sn+$^{40}$Ca as compared to the more neutron-rich system…
The correlation function of a one-dimensional interface over a random substrate, bound to the substrate by a pressure term, is studied by Monte-Carlo simulation. It is found that the height correlation < h_i ; h_{i+j} >, averaged over the…
This letter reports the first demonstration of AlN Schottky diodes on bulk AlN substrates by metalorganic chemical vapor phase deposition (MOCVD) with breakdown voltages exceeding 3 kV. The devices exhibited good rectifying characteristics…
We assessed four exchange-correlation functionals (LDA CA-PZ, GGA parametrized by PBE, PBEsol, and WC) in predicting the lattice parameters of SrTi$_{1-\mathit{x}}$Mn$_{\mathit{x}}$O$_{3}$ perovskites, assuming cubic structures. Predictions…