相关论文: Effective masses in complex band structures, a cod…
The motion of an electron in an image field and a blocking electric field is considered in semiclassical approximation. An exact analytical expression is found for the density of the energy spectrum of states. The dependence of spectral…
A remarkable consequence of the Hohenberg-Kohn theorem of density functional theory is the existence of an injective map between the electronic density and any observable of the many electron problem in an external potential. In this work,…
We present numerical calculations of the electron effective mass in an interacting, ferromagnetic, two-dimensional electron system. We consider quantum interaction effects associated with the charge-density fluctuation induced many-body…
The demands on performance of advanced linear accelerator based facilities strongly depend on the quality of the particle beams produced by such machines. Indeed, state-of-the-art applications in photon production and high-energy physics…
Linking the fundamental physics of band structure and scattering theory with macroscopic features such as measurable bulk thermoelectric transport properties is indispensable to a thorough understanding of transport phenomena and ensures…
We propose an effective and flexible way to implement 2D and 3D elastoplastic problems in MATLAB using fully vectorized codes. Our technique is applied to a broad class of the problems including perfect plasticity or plasticity with…
We present here a Finite Element Method devoted to the simulation of 3D periodic structures of arbitrary geometry. The numerical method based on ARPACK and PARDISO libraries, is discussed with the aim of extracting the eigenmodes of…
The quality and quantity of data used for training greatly influence the performance and effectiveness of deep learning models. In the context of error correction, it is essential to generate high-quality samples that are neither…
Negative mass phenomena occurring below a cut-off frequency is examined by both theoretical and experimental methods. The paper begins with the investigation on a mass-spring structure, the effective mass of which is shown to be negative…
Binary matrix codes with restricted row and column weights are a desirable method of coded modulation for power line communication. In this work, we construct such matrix codes that are obtained as products of affine codes - cosets of…
Realistic thermoelectric modeling and simulation tools are needed to explain the experiments and for device design. In this paper, we present a simple computational technique to make use of rigorous band structure calculations in…
The electronic band structure and elastic properties of the Cd${}_{16}$Se${}_{15}$Te solid state solution in the framework of the density functional theory calculations are investigated. The structure of the sample is constructed on the…
Effective Field Theories (EFTs) provide a framework for capturing the effects of yet unseen heavy degrees of freedom in a model-independent manner. However, constructing a complete and minimal set of operators, especially at higher mass…
The motion of electrons under homogeneously applied electric fields in low-dimensional systems with non-zero off-diagonal effective mass (ODEM) is studied. The equation describing the time evolution of a probability coefficient of finding…
We present the mathematical and numerical theory for evanescent waves in subwavelength band gap materials. We begin in the one-dimensional case, whereby fully explicit formulas for the complex band structure, in terms of the capacitance…
Reduced density matrix functional theory for the case of solids is presented and a new exchange correlation functional based on a fractional power of the density matrix is introduced. We show that compared to other functionals, this…
The package "fhi96md" is an efficient code to perform density-functional theory total-energy calculations for materials ranging from insulators to transition metals. The package employs first-principles pseudopotentials, and a plane-wave…
The advent of pi-stacked layered metal-organic frameworks (MOFs) opened up new horizons for designing compact MOF-based devices as they offer unique electrical conductivity on top of permanent porosity and exceptionally high surface area.…
A classical particle oscillating in an arbitrary high-frequency or static field effectively exhibits a modified rest mass m_eff derived from the particle averaged Lagrangian. Relativistic ponderomotive and diamagnetic forces, as well as…
While analytic calculations may give access to complex-valued electromagnetic field data which allow trivial access to envelope and phase information, the majority of numeric codes uses a real-valued represantation. This typically increases…