Thomas E. Karis, C. Mark Seymour, et al.
Rheologica Acta
The authors describe a recently proposed molecular dynamics scheme, which allows simulations using forces obtained from accurate quantum mechanical calculations. They apply this scheme to molten KSi, which is known to form Zintl-like ions (Si)44- in the solid state. It is shown that these complexes tend to lose their identity in the liquid phase, and that Si atoms form an extended network with threefold-coordinated sites.
Thomas E. Karis, C. Mark Seymour, et al.
Rheologica Acta
Thomas H. Baum, Carl E. Larson, et al.
Journal of Organometallic Chemistry
Arvind Kumar, Jeffrey J. Welser, et al.
MRS Spring 2000
J.H. Kaufman, Owen R. Melroy, et al.
Synthetic Metals