Models for two intense Si-H infrared stretching bands in FZ-Si grown in hydrogen
- 30 January 1987
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 20 (3) , 419-423
- https://doi.org/10.1088/0022-3719/20/3/012
Abstract
The authors have used the complete neglect of differential orbital (CNDO) method to investigate the two models proposed by Shi et al. (1984, 85) to account for the two intense Si-H infrared stretching bands in the floating zone melted silicon crystal grown in hydrogen atmosphere (FZ-Si:H). Their results are such that the two models proposed give minimum total energies and the Si-H bond length is found to be about 1.6 AA with the H atom located at the anti-bonding site, consistent with the experimental value determined by Picraux and Vook (1975).Keywords
This publication has 6 references indexed in Scilit:
- The isotope study of the SiH absorption peaks in the FZSi grown in hydrogen atmosphereSolid State Communications, 1985
- The Nature of Two Intense Si–H IR Stretching Bands in FZ‐Si:HPhysica Status Solidi (b), 1985
- Defect calculations in semiconductors Theoretical principles as illustrated by current calculationsPhilosophical Magazine Part B, 1985
- Interstitial muons and hydrogen in diamond and siliconJournal of Physics C: Solid State Physics, 1984
- A large unit cell semiempirical molecular orbital approach to the properties of solids. II. Covalent materials: diamond and siliconJournal of Physics C: Solid State Physics, 1979
- Structure of hydrogen center in D-implanted SiPhysical Review B, 1978