Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
Several applications have demonstrated that a recently developed first-principles molecular dynamics method allows to predict structural, dynamical and electronic properties of non-crystalline semiconductors. In this scheme the interatomic potential is explicitely derived from the electronic ground-state. Here we discuss in particular the case of Si, both elemental and hydrogenated. The numerical results can be directly compared with several experimental data. In addition, they reveal details of the microscopic dynamics that are not directly accessible to experiment and provide insight into the bonding mechanisms that lead to the formation of the disordered structures. © 1989.
Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
S.F. Fan, W.B. Yun, et al.
Proceedings of SPIE 1989
Michiel Sprik
Journal of Physics Condensed Matter
J.H. Kaufman, Owen R. Melroy, et al.
Synthetic Metals