A quantum mechanical investigation of positively charged defects in SiO{sub 2} thin film devices
Conference
·
OSTI ID:431180
- and others
Ab initio Hartree-Fock and second-order Moeller-Plesset theory calculations have been performed to investigate the stability of triply-coordinated O{sup +} centers in the Si-O-Si network of amorphous SiO{sub 2}. The calculations reveal that the H{sup +} ion binds with a bridging O center to form a very stable (D{sub e} > 6 eV) trivalent O complex. Capture of an electron by the positively charged protonated complex, however, is predicted to immediately lead to the dissociation of the O-H bond. A relatively weaker, but stable bond is also formed between the bridging O atom and a {sup +}SiH{sub 3} ion.
- Research Organization:
- Sandia National Labs., Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States); Department of the Air Force, Washington, DC (United States)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 431180
- Report Number(s):
- SAND--97-0061C; CONF-961202--26; ON: DE97002464
- Country of Publication:
- United States
- Language:
- English
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