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We consider methods for optimizing the bandgap calculation of 3D materials, considering 340 sample materials. Examined are the effects of the choice of the pseudopotential to describe core electrons, the plane-wave basis set cutoff energy,…
Semiconductor model is a system of parabolic partial differential equations with cross-diffusion phenomenon. Previous results showed that a weak solution exists and is not bounded in general. So semiconductor model was categorized as a…
In this paper, free boundary geodesic networks whose length realize the first min-max width of the length functional are investigated. This functional acts on the space of relative flat 1-dimensional cycles modulo 2 in a compact surface…
Measurements of diode dynamic conductance and dynamic capacitance for frequencies up to $10 \times \tau_{p,n}^{-1}$, and voltage amplitude level up tp 100 mV was carried out with a precision impedancemeter. The results were compared with…
One of the few methods for generating efficient function spaces for multi-D Schrodinger eigenproblems is given by Garashchuk and Light in J.Chem.Phys. 114 (2001) 3929. Their Gaussian basis functions are wider and sparser in high potential…
The potential splitting approach incorporated into the framework of Faddeev-Merkuriev equations in the differential form is used for calculations of multichannel scattering in $e^-e^+\bar{p}$ and $e^+e^-\mbox{He}^{++}$ systems. Detailed…
A novel phase-field for ductile fracture model is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling…
Experimental observations of heteroepitaxial growth of Ge on Si(001) show a (2xn) reconstruction for sub-monolayer coverages, with dimer rows crossed by missing-dimer trenches. We present first-principles density-functional calculations…
Momentum widths of the primary fragments and observed final fragments have been investigated within the framework of an Antisymmetrized Molecular Dynamics transport model code (AMD-V) with a sequential decay afterburner (GEMINI). It is…
We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…
We provide a quantitative obstruction to collapsing surfaces of genus at least 2 under a lower curvature bound and an upper diameter bound. Keywords: curvature; diameter; volume; filling radius; systole; Gromov-Hausdorff distance
The capacity regions of vector, or multiple-input multiple-output, Gaussian interference channels are established for very strong interference and aligned strong interference. Furthermore, the sum-rate capacities are established for Z…
Using the path integral approach, we provide an explicit derivation of the equation for the phase boundary for quantum Josephson junction arrays with offset charges and non-diagonal capacitance matrix. For the model with nearest neighbor…
We considered the thermodynamics in spaces with deformed commutation relation leading to existence of the minimal length. We developed a classical method of the partition function evaluation. We calculated the partition function and heat…
We analyze the reflection and transmission coefficients calculated from transfer matrix simulations on finite lenghts of electromagnetic metamaterials, to determine the effective permittivity and permeability. We perform this analysis on…
The $k \cdot p$ is a versatile technique that describes the semiconductor band structure in the vicinity of the bandgap. The technique can be extended to full Brillouin zone by including more coupled bands into consideration. For…
The generalized pseudospectral method is employed to calculate the bound states of Hulth\'en and Yukawa potentials in quantum mechanics, with special emphases on higher excited states and stronger couplings. Accurate energy eigenvalues,…
We demonstrate ultra-sharp (${\lesssim}\,10\text{ nm}$) lateral $p\text{-}n$ junctions in graphene using electronic transport, scanning tunneling microscopy, and first principles calculations. The $p\text{-}n$ junction lies at the boundary…
As a continuation of our previous work on the conservation and breaking of the pseudospin symmetry (PSS) in resonant states [Phys. Lett. B 847, 138320 (2023)}], in this work, the PSS in nuclear single-particle bound and resonant states are…
Photodetachment of H$^-$ near a potential barrier is studied. A new formula is presented for the cross sections induced by a barrier. The new formula describes two quantum effects near barrier tops. For energies near and above barrier tops,…