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We propose an efficient reduced-order technique for electronic structure calculations of semiconductor nanostructures, suited for inclusion in full-band quantum transport simulators. The model is based on the linear combination of bulk…
The calculation of quantum-geometric properties of Bloch electrons -- Berry curvature, quantum metric, orbital magnetic moment and effective mass -- was implemented in a pseudopotential plane-wave code. The starting point was the first…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
The modified Becke-Johnson meta-GGA potential of density functional theory has been shown to be the best exchange-correlation potential to determine band gaps of crystalline solids. However, it cannot be consistently used for the electronic…
Fission excitation functions have been measured for a chain of neighboring compound nuclei, from 207Po to 212Po. We present a new analysis which provides a determination of the fission barriers and ground state shell effects with nearly…
We have studied the finite bias transport properties of a 2H-1T' MoS$_2$ lateral metal-semiconductor (M-S) junction by non-equilibrium Green's functions calculations, aimed at contacting the 2D channel in a field effect transistor. Our…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…
The shape of the undepleted volume of a p-type high-purity Broad Energy Germanium detector, dependent on the bias voltage, has been imaged by measuring spatially-resolved Compton-scattering efficiency. The bias voltage was raised stepwise…
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…
Existing data on near-barrier fusion excitation functions of medium and heavy nucleus-nucleus systems have been analyzed using a simple diffused barrier formula derived assuming the Gaussian shape of the barrier height distributions. Fusion…
The reanalysis of the published experimental data from reaction Co-59(p,2gamma)Ni-60 was performed. The region of the most probable values of level density and radiative strength functions of cascade gamma-transitions was determined. The…
We present a theoretical approach to calculate the {\it local} absorption spectrum of excitons confined in a semiconductor nanostructure. Using the density-matrix formalism, we derive a microscopic expression for the non-local…
A two-user discrete memoryless compound multiple access channel with a common message and conferencing decoders is considered. The capacity region is characterized in the special cases of physically degraded channels and unidirectional…
Ballistic electron emission microscopy (BEEM) was performed to obtain nanoscale current versus bias characteristics of non-epitaxial Au on p-type GaAs in order to accurately measure the local Schottky barrier height. Hole injection BEEM…
Considering energy dependence of the barrier radius in heavy-ion fusion reactions, a modified Siwek-Wilczy\'{n}ski (MSW) fusion cross section formula is proposed. With the MSW formula, the fusion barrier parameters for 367 reaction systems…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
We demonstrate the formation of semimetal graphite/semiconductor Schottky barriers where the semiconductor is either silicon (Si), gallium arsenide (GaAs) or 4H-silicon carbide (4H-SiC). Near room temperature, the forward-bias diode…
We derive an expression for the 4-point conductance of a general quantum junction in terms of the density response function. Our formulation allows us to show that the 4-point conductance of an interacting electronic system possessing…
Accurate band gap prediction in semiconductors is crucial for materials science and semiconductor technology advancements. This paper extends the Perdew-Burke-Ernzerhof (PBE) functional for a wide range of semiconductors, tackling the…
The energy and decay width of the pi-K atom are evaluated in the framework of the quasipotential-constraint theory approach. The main electromagnetic and isospin symmetry breaking corrections to the lowest-order formulas for the energy…