Tuning of tetrahedrality in a silicon potential yields a series of monatomic (metal-like) glass formers of very high fragility

Phys Rev Lett. 2006 Aug 18;97(7):075701. doi: 10.1103/PhysRevLett.97.075701. Epub 2006 Aug 15.

Abstract

We obtain monatomic glass formers in simulations by modifying the tetrahedral character in a silicon potential to explore a triple point zone between potentials favoring diamond (dc) and bcc crystals. dc crystallization is always preceded by a polyamorphic transformation of the liquid, and is frustrated when the Kauzmann temperature of the high temperature liquid intersects the liquid-liquid coexistence line. The glass forming liquids are extraordinarily fragile. Our results suggest that Si and Ge liquids may be vitrified at a pressure close to the diamond-beta-tin-liquid triple point.