Related papers: Million Atom Electronic Structure and Device Calcu…
In this paper we present a new multi-scale simulation scheme for next-generation electronic design automation for nano-electronics. The scheme features a combination of the first-principles quantum mechanical calculation, semi-classical…
Micro-Electro-Mechanical Systems (MEMS) normally have fixed or moving structures (plates or array of thin beams) with cross-sections of the order of microns and lengths of the order of tens or hundreds of microns. Electrostatic forces play…
Cross-sectional scanning tunnelling microscopy and spectroscopy (XSTM/S) were used to map out the band alignment across the complex oxide interface of La$_{2/3}$Ca$_{1/3}$MnO$_{3}$/Nb-doped SrTiO$_{3}$. By a controlled cross-sectional…
Precision in identifying nanometer-scale device-killer defects is crucial in both semiconductor research and development as well as in production processes. The effectiveness of existing ML-based approaches in this context is largely…
Transmission electron microscopy (TEM) is a powerful imaging tool that has found broad application in materials science, nanoscience and biology(1-3). With the introduction of aberration-corrected electron lenses, both the spatial…
Among different topological and related phases of condensed matter, nodal semimetals occupy a special place - the electronic band topology in these materials is related to three-dimensional bulk, rather than to surface, states. A great…
In a comprehensive study on several samples we demonstrate for our laboratory-based computed tomography system resolutions down to 150nm. The achieved resolution is validated by imaging com-mon test structures in 2D and Fourier Shell…
A massively parallel order-N electronic structure theory was constructed by an interdisciplinary research between physics, applied mathematics and computer science. (1) A high parallel efficiency with ten-million-atom nanomaterials was…
Topological mechanical metamaterials translate condensed matter phenomena, like non-reciprocity and robustness to defects, into classical platforms. At small scales, topological nanoelectromechanical metamaterials (NEMM) can enable the…
Beyond active material intrinsic properties, the electrode manufacturing process is a crucial step to reach high energy density and long-life of Li-ion batteries. In particular, very high pressures are applied to the electrode during the…
The end of conventional Dennard scaling and the widening gap between memory bandwidth and arithmetic throughput have made the von Neumann partition a structural bottleneck rather than a transient one. Two-dimensional (2D) materials, with…
An exponential increase in the performance of silicon microelectronics and the demand to manufacture in great volumes has created an ecosystem that requires increasingly complex tools to fabricate and characterize the next generation of…
Nanostructures, like periodic arrays of scatters or low-index gratings, are used to improve the light outcoupling from organic light-emitting diodes (OLED). In order to optimize geometrical and material properties of such structures,…
This article presents the development and validation of a hybrid multi-sphere discrete element framework - Rigid3D, for the simulation of granular systems with arbitrarily shaped particles in 3D space. In this DEM framework, a non-spherical…
Scanning electron microscopy (SEM), a century-old technique, is today a ubiquitous method of imaging the surface of nanostructures. However, most SEM detectors simply count the number of secondary electrons from a material of interest, and…
The incorporation of high-performance optoelectronic devices into photonic neuromorphic processors can substantially accelerate computationally intensive operations in machine learning (ML) algorithms. However, the conventional device…
We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its high accuracy. Further comparison with all-electron…
The near field scanning optical microscopy (NSOM) is not only a tool for imaging of objects in the sub wavelength limit but also a prominent characteristic tool for understanding the intrinsic properties of the nanostructures. The effect of…
Electron transparent TEM lamella with unaltered microstructure and chemistry is the prerequisite for successful TEM explorations. Currently, TEM specimen preparation of quantum nanostructures, such as quantum dots (QDs), remains a…
This paper presents a multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and applies them in macro-scale device models. This work…