Related papers: An augmented space recursion study of the electron…

The augmented space formalism coupled with the recursion method and a tight-binding linear Muffin-tin orbitals basis has been applied to study the effects of roughness on the properties of (001) surfaces of body-centered cubic Fe and…

We present here a reciprocal space formulation of the Augmented space recursion (ASR) which uses the lattice translation symmetry in the full augmented space to produce configuration averaged quantities, such as spectral functions and…

In this communication we have studied the electronic structure, magnetic and optical properties of bcc \fecr alloys in the ferromagnetic phase. We have used the augmented space recursion technique coupled with tight-binding linearized…

This paper presents an innovative approach to computational acoustic imaging of biperiodic surfaces, exploiting the capabilities of an acoustic superlens to overcome the diffraction limit. We address the challenge of imaging physical…

We present here an augmented space recursive technique in the k-representation which include diagonal, off-diagonal and the environmental disorder explicitly : an analytic, translationally invariant, multiple scattering theory for phonons…

Previous experiment on Fe/Cr/Fe(001) trilayers reported a surprising observation that the interlayer exchange coupling could be enhanced drastically by the bombardment of irradiation even at low fluences. We propose that it is due to the…

We discuss our new implementation of the Real-space Electronic Structure method for studying the atomic and electronic structure of infinite periodic as well as finite systems, based on density functional theory. This improved version which…

We investigate the electronic structure of the c(4 x 2) reconstructed Ge(001) surface using band structure calculations based on density functional theory and the generalized gradient approximation. In particular, we take into account the…

Ferroic domain walls are known to display the characteristic scaling properties of self-affine rough interfaces. Different methods have been used to extract roughness information in ferroelectric and ferromagnetic materials. Here, we review…

We consider numerical solution of elliptic problems with heterogeneous diffusion coefficients containing thin highly conductive structures. Such problems arise e.g. in fractured porous media, reinforced materials, and electric circuits. The…

Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…

Off-stoichiometric alloys exhibit partial disorder, in the sense that only some of the sublattices of the stoichiometric ordered alloy become disordered. This paper puts forward a generalization of the augmented space recursion (ASR)…

I survey the use and impact of adaptive mesh refinement (AMR) simulations in numerical astrophysics and cosmology. Two basic techniques are in use to extend the dynamic range of Eulerian grid simulations in multi-dimensions: cell…

Phase reconstruction is important in transmission electron microscopy for structural studies. We describe electron Fourier ptychography and its application to phase reconstruction of both radiation-resistant and beam-sensitive materials. We…

A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…

Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is…

We present a novel algorithm which can overcome the drawbacks of the conventional linear scaling method with minimal computational overhead. This is achieved by introducing additional constraints, thus eliminating the redundancy of the…

Due to the real-time rendering performance, 3D Gaussian Splatting (3DGS) has emerged as the leading method for radiance field reconstruction. However, its reliance on spherical harmonics for color encoding inherently limits its ability to…

This paper presents novel strategies for spawning and fusing submaps within an elastic dense 3D reconstruction system. The proposed system uses spatial understanding of the scanned environment to control memory usage growth by fusing…

We present a method for electronic structure calculations that retains all of the advantages of real space and addresses the inherent inefficiency of a regular grid, which has equal precision everywhere. The computations are carried out on…