title: Electron anions and the glass transition temperature.
abstract: Properties of glasses are typically controlled by judicious selection of the glass-forming and glass-modifying constituents. Through an experimental and computational study of the crystalline, molten, and amorphous [Ca12Al14O32](2+) ⋅ (e(-))2, we demonstrate that electron anions in this system behave as glass modifiers that strongly affect solidification dynamics, the glass transition temperature, and spectroscopic properties of the resultant amorphous material. The concentration of such electron anions is a consequential control parameter: It invokes materials evolution pathways and properties not available in conventional glasses, which opens a unique avenue in rational materials design.
authors: Physical Sciences Division, Physical & Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA 99354;
authors: Lewis E
authors: 0000-0002-7412-073X
authors: LE
authors: Johnson
authors: Physical Sciences Division, Physical & Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA 99354; peter.sushko@pnnl.gov hosono@msl.titech.ac.jp.
authors: Peter V
authors: PV
authors: Sushko
authors: Materials Research Center of Element Strategy, Tokyo Institute of Technology, Midori-ku, Yokohama 226-8503, Japan.
authors: Yudai
authors: Y
authors: Tomota
authors: Materials Research Center of Element Strategy, Tokyo Institute of Technology, Midori-ku, Yokohama 226-8503, Japan peter.sushko@pnnl.gov hosono@msl.titech.ac.jp.
authors: Hideo
authors: H
authors: Hosono
keywords: amorphous materials; density functional theory; electrides; glass transition; molecular dynamics