Related papers: Angular rigidity in tetrahedral network glasses
The structure of Ge$_{22}$Ga$_3$Sb$_{10}$S$_{65}$ and Ge$_{15}$Ga$_{10}$Sb$_{10}$S$_{65}$ glasses was investigated by neutron diffraction (ND), X-ray diffraction (XRD), and extended X-ray absorption fine structure (EXAFS) measurements at…
The stability of germanene under biaxial tensile strain and the accompanying modifications of the electronic properties are studied by density functional theory. The phonon spectrum shows that up to $16\%$ strain the germanene lattice is…
Much of our understanding of complex structures is based on simplification: for example, metal-organic frameworks are often discussed in the context of "nodes" and "linkers", allowing for a qualitative comparison with simpler inorganic…
Various ternary chalcogenide systems and their properties are one of the hot topics for researchers nowadays. In this article, one of the ternary chalcogenide compounds, CdTl2Te4 is studied including its electronic structures and optical…
Recent experimental results for covalent glasses suggest the existence of an intermediate phase attributed to the self-organization of the glass network resulting from the tendency to minimize its internal stress. However, the exact nature…
Strained coherent heteroepitaxy of III-V semiconductor films such as In$_x$Ga$_{1-x}$As/GaAs has potential for electronic and optoelectronic applications such as high density logic, quantum computing architectures, laser diodes, and other…
Germanosilicide thin films are quite different from silicides and germanides. The germanium composition is not homogeneous, grains have a different shape, and the substrate is generally strained. This affects grain boundary grooving and…
Glasses and gels, widely encountered amorphous solids with diverse industrial and everyday applications, share intriguing similarities such as rigidity without crystalline order and dynamic slowing down during aging. However, the underlying…
We study the dynamics of a one-dimensional fluid of orientable hard rectangles with a non-coarse-grained microscopic mechanism of facilitation. The length occupied by a rectangle depends on its orientation, which is coupled to an external…
Coupled nonlinear Schrodinger equations for paraxial optics with two circular polarizations of light in a defocusing Kerr medium with anomalous dispersion coincide in form with the Gross-Pitaevskii equations for a binary Bose-Einstein…
We study the bending of rectangular atomic monolayers along different directions from first principles. Specifically, choosing the phosphorene, GeS, TiS$_3$, and As$_2$S$_3$ monolayers as representative examples, we perform Kohn-Sham…
Chemical short range order and topology of Ge$_{x}$Ga$_{x}$Te$_{100-2x}$ glasses was investigated by neutron- and x-ray diffraction as well as Ge and Ga K-edge extended x-ray absorption fine structure (EXAFS) measurements. Large scale…
Recent studies point out far-reaching connections between the topological characteristics of structural glasses and their material properties, paralleling results in quantum physics that highlight the relevance of the nature of the…
It is demonstrated that the width of the uncorrelated atomic-charge distribution in glasses can be extracted from the frequency dependence of the coupling coefficient for the far-infrared absorption measured experimentally by the…
With the use of {\em ab initio} based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS$_2$ at room temperature. From the radial distribution function we find nearest neighbor…
The effects of entanglement and chain orientation on strain hardening in glassy polymers are separated by examining mixtures of chains with different lengths. Simulations show that the orientation of a molecule of a given chain length is…
We discuss an inverse approach for atomistic modeling of glassy materials. The focus is on structural modeling and electronic properties of hydrogenated amorphous silicon and glassy GeSe2 alloy. The work is based upon a new approach…
The transition between necking-mediated tensile failure of glasses, at elevated temperatures and/or low strain-rates, and shear-banding-mediated tensile failure, at low temperatures and/or high strain-rates, is investigated using tensile…
The solution to the long standing problem of the cohesion of organic chain compounds is proposed. We consider the tight-binding dielectric matrix with two electronic bands per chain, determine the corresponding hybridized collective modes,…
Glass transition temperatures (Tg) and liquid fragilities are measured along a line of constant Ge content in the system Ge-As-Te, and contrasted with the lack of glass-forming ability in the twin system Ge-Sb-Te at the same Ge content. The…