Related papers: Rational Design of Half-Metallic Heterostructures
Auxetic materials become thicker rather than thinner when stretched, exhibiting an unusual negative Poisson's ratio well suited for designing shape transforming metamaterials. Current auxetic designs, however, are often monostable and…
Time-varying nanostructures allow us to control the spatial and temporal properties of light. The temporal modulation of the nanostructures constitutes an additional degree of freedom to control their scattering properties on demand and in…
Metallic conductors that are optically transparent represent a rare breed of generally contraindicated physical properties that are nevertheless critically needed for application where both functionalities are crucial. Such rare materials…
Crystal structure design is important for the discovery of new highly functional materials because crystal structure strongly influences material properties. Crystal structures are composed of space-filling polyhedra, which affect material…
We analyze nonlinear properties of microstructured materials with negative refraction, the so-called left-handed metamaterials. We consider a two-dimensional periodic structure created by arrays of wires and split-ring resonators embedded…
Ab initio molecular dynamic method within the framework of density functional theory is applied to analyze the structural and electronic properties of crystalline molecular hydrogen at temperature 100\,K. Pressure, pair correlation function…
A summary is given of a talk on the physics and technology of hybrid metallic nanostructures, with a view to metallic nanoelectronics. In the beginning of the talk it was noted that the majority of the presentations at the conference were…
It is demonstrated based on continuum mechanics modeling and simulation that it is possible to obtain polycrystalline ceramic ferroelectric materials which beggars single crystals in electromechanical properties. The local inhomogeneities…
Metasurfaces are generally designed by placing scatterers in a periodic grid. We propose and discuss design rules for efficient random and functional metasurfaces with anisotropic elements. We investigate the impact of the elements density…
Low-dimensional metal-semiconductor vertical heterostructures (VH) are promising candidates in the search of electronic devices at the extreme limits of miniaturization. Within this line of research, here we present a…
Composites are often made heterogeneous in nature to fulfill the functional demands imposed by the environment, but remain difficult to fabricate synthetically due to the lack of adequate and easily accessible processing tools. We report on…
A method to create a highly homogeneous magnetic field by applying topology optimized, additively manufactured shimming elements is investigated. The topology optimization algorithm can calculate a suitable permanent and nonlinear soft…
Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…
Ruthenium-based B2 intermetallics are promising for refractory superalloys but are limited by the trade-off between high thermodynamic stability and elastic precipitation strain. We present a physics-guided machine learning framework…
Superconducting high-entropy alloys (HEAs) are a newly burgeoning field of unconventional superconductors and raise intriguing questions about the presence of superconductivity in highly disordered systems, which lack regular phonon modes.…
Elementary semiconductors are rare and attractive, especially for low-dimensional materials. Unfortunately, most of boron nanostructures were found to be metallic, despite of their typical semiconducting bulk structure. Herein, we propose a…
Efficient heuristics have predicted many functional materials such as high-temperature superconducting hydrides, while inorganic structural chemistry explains why and how the crystal structures are stabilized. Here we develop the paired…
In the first of two articles, we present here a novel mesoscopic micromagnetic approach for simulating materials composed of ferromagnetic and antiferromagnetic phases. Starting with the atomistic modeling of quasi one-dimensional systems,…
We create mechanical metamaterials whose response to uniaxial compression can be programmed by lateral confinement, allowing monotonic, non-monotonic and hysteretic behavior. These functionalities arise from a broken rotational symmetry…
The existence of approximately 30 noncentrosymmetric metals (NCSM) suggests a contraindication between crystal structures without inversion symmetry and metallic behavior. Those containing oxygen are especially scarce. Here we propose and…