Search arXivSearch

arXiv · 1009.0070

Peculiarities of the defect model for the mixed mobile ion effect in mixed cation glasses

Abstract

Peculiarities of mixed cation effect in ternary glasses whose composition involves alkali and non-alkali unicharged ions and/or alkaline earth ions are explored within context of defect model for mixed mobile ion effect (V. Belostotsky, J. Non-Cryst. Solids (2007)). In mixed alkaline earth glasses mixed cation effect is observed as in ionic diffusivity as well as in the glass transition temperature reflecting the fact that movement of dissimilar ions of unequal size is accompanied by formation of intrinsic defects in glass matrix when mobile ions enter foreign sites. It is qualitatively similar to that in mixed alkali glasses although quantitatively it is much less pronounced due to lower mobility of alkaline earth ions. In mixed cation glasses whose composition involves dissimilar mobile ions with ionic radii close to each other 'classical' mixed mobile ion effect is not observed in sense we face it in mixed alkali glasses. In alkali alkaline earth glasses like xNa2O-(1-x)CaO-SiO2 and xK2O-(1-x)BaO-SiO2 energy landscape is comprised of regular unicharged alkali sites and double-charged alkaline-earth sites, and mobile ions of both types can utilize either vacant sites without their rearrangement. This leads to increase in apparent diffusivity of alkaline-earth species when their concentration decreases which is opposite to what is reported for mixed alkali glasses. Mixed cation effect in the transition temperature of such glasses is not observed which is clear indication that site rearrangement involving generation of intrinsic defects does not occur when a mobile ion enters a foreign site. Similar picture is observed in Na-Ag phosphate glasses where mixed cation effect in ionic conductivity is anomalously low because dissimilar ions have almost equal ionic radii and can utilize either vacant sites without their rearrangement and intrinsic defect formations in nearest glass matrix

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Vladimir Belostotsky. 2010-09-01. Peculiarities of the defect model for the mixed mobile ion effect in mixed cation glasses. https://arxiv.org/abs/1009.0070

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Towards ultra-scaled nanoelectronics using the zipper material system $Bi_2O_2Se/Bi_2SeO_5$

Two-dimensional (2D) materials could overcome the scaling bottleneck of nanoelectronics by enabling atomically thin channels, superior electrostatic control, and reduced short-channel effects. However, progress is limited by the lack of semiconductor–insulator interfaces being simultaneously scalable, stable, and reliable. Conventional 2D interfaces are often low quality or require transferring dissimilar materials, limiting reproducibility and scalability. We show that the zipper heterostructure formed by the high-mobility 2D semiconductor Bi 2 O 2 Se and its native high- κ oxide Bi 2 SeO 5 addresses these challenges, providing an atomically sharp, chemically matched interface with excellent electrostatics and promising scaling potential. We further present the first comprehensive multiscale assessment of Bi 2 O 2 Se/Bi 2 SeO 5 transistors targeting thermal stability, reliability, and scalability by linking atomic-scale structure and defects to device-level behavior across four transistor generations (top-gated, fin, and two gate-all-around architectures). Benchmarking against IRDS-2035 targets indicates that Bi 2 O 2 Se/Bi 2 SeO 5 devices could deliver high drive current with low gate leakage under aggressive scaling, potentially surpassing the targets in the upper-bound region of the sensitivity analysis. Finally, we identify oxygen-related oxide defects as the dominant origin of hysteresis consistent with a beneficial role of encapsulation and oxygen-rich annealing. Together, our findings support the potential of this zipper material system as a technologically-credible and manufacturing-relevant platform for future nanoelectronics.

cond-mat.mtrl-sci

Influence of Heterogeneity on the Response of Architected Metamaterials

Architected metamaterials like foams and lattices exhibit complex responses governed by microstructural instabilities, localization, and phase-transition-like phenomena. Their behavior is further affected by heterogeneities inherent in their microstructure often caused through manufacturing processes. In this study we extend a gradient-enhanced, nonlocal continuum formulation to incorporate stochastic material heterogeneity through Gaussian random fields imposed on selected constitutive parameters. The framework enables independent control of both the amplitude and spatial correlation of material fluctuations while preserving thermodynamic consistency and regularization of localization. It also introduces a characteristic lengthscale ratio between the nonlocal and correlation lengthscales, that enables modeling at the limit of random or spatially correlated microstructures. Finite element simulations of confined compression and indentation show that heterogeneity fundamentally alters phase nucleation, localization morphology, and macroscopic response. Overall, the proposed framework provides a unified approach for linking stochastic material variability to instability-driven mechanics in architected metamaterials, enabling improved understanding of imperfection sensitivity, stability and design. It showcases how heterogeneity alone can influence characteristic features of the response, such as stability, slope of the plateau region, and elimination of the initial elastic regime.

cond-mat.mtrl-sci

Structural, electronic, and optical properties of hexagonal GeSn from density functional theory

Unlike cubic GeSn, which undergoes an indirect-to-direct bandgap transition only above a finite Sn concentration, lonsdaleite (2H) germanium is an intrinsic direct-gap semiconductor. We employ first-principles density functional theory to investigate the structural, electronic, and optical properties of 2H-Ge$_{1-x}$Sn$_{x}$ random alloys in the dilute Sn regime ($x \le 0.10$). Substitutional disorder is modeled using 48-atom special quasirandom structure (SQS) supercells, and the coherent effective band structure is recovered via spectral band unfolding. We show that the semiconducting alloy configurations retain a direct bandgap at the $Γ$ point, with a moderate, nearly linear reduction of the bandgap in the dilute regime that shifts the fundamental absorption edge toward the mid-infrared. As the gap approaches zero, its calculated value becomes increasingly sensitive to the atomic configuration and supercell size. Evaluation of the optical transition matrix elements shows that the polarization anisotropy characteristic of pristine 2H-Ge remains observable under dilute Sn alloying. Although alloy disorder relaxes the crystal selection rules, the band edge response remains dominated by light polarized perpendicular to the crystal $c$ axis, whereas the parallel component remains weaker. These results identify dilute hexagonal GeSn as a tunable direct-gap system with a strongly polarization-dependent optical response in the infrared.

cond-mat.mtrl-sci