K.N. Tu
Materials Science and Engineering: A
The existing discrepancy between theoretical models and experimental results for hydrogen-donor complexes in crystalline silicon is resolved using first-principles pseudopotential-density-functional calculations for the hydrogen-phosphorus pair. In the configuration which is the global energy minimum, H is located on the extension of a P-Si bond on the Si side, with the Si-H pair relaxing away from P by 0.6 A, leaving the P atom threefold coordinated. The calculated stretching and wagging vibrational frequencies associated with this configuration are in accord with experiment. © 1990 The American Physical Society.
K.N. Tu
Materials Science and Engineering: A
Eloisa Bentivegna
Big Data 2022
Kafai Lai, Alan E. Rosenbluth, et al.
SPIE Advanced Lithography 2007
Michiel Sprik
Journal of Physics Condensed Matter