Ab initia calculations of FT energetics in SiO2: Implications for transport

IEEE Transactions on Nuclear Science

Volumn 46, Issue 6 PART 1, 1999, Pages 1568-1573

  Bunson, P E ^a  

^a VANDERBILT UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER HEIGHT; BONDING SITE; DENSITY FUNCTIONAL THEORY; MIGRATION PATHWAYS;

ATOMS; BINDING ENERGY; DIFFUSION; ELECTRON TRANSPORT PROPERTIES; INTERFACES (MATERIALS); MOS DEVICES; OXYGEN; SILICA;

RADIATION EFFECTS;

EID: 0033307439     PISSN: 00189499     EISSN: None     Source Type: Journal    
DOI: 10.1109/23.819122     Document Type: Article

References (24)

1. F. B. McLean, A Framework for Understanding Radiation-Induced States in SiO2 MOS Structures, IEEE Trans. Nucl. Sei. 27, 1651 (1980)
2. N. S. Saks and D, B. Brown, Interface Trap Formation Via the Two-Stage H+ Process, IEEE Trans. Nucl. Sei. 36,1848(1989)
3. T. P. Ma and P. V. Dressendorfer, Ionizing Radiation Effects in MOS Devices and Circuits, New York: John Wiley & Sons, 1989
4. K. Vanheusden, R. A. B. Devine, J. R. Schwank, D. M. Fleetwood, R. G. Polcawich, W. L. Warren, S. P. Kama, and R. D, Pugh, Irradiation response of Mobile Protons in Buried SiO2 Films, IEEE Trans, Nucl. Sei. 44, 2087 (1997)
5. R. E. Stahlbush, R. K. Lawrence, and H. L. Hughes, H+ Motion in SiO2: Incompatible Results from HydrogenAnnealing and Radiation Models, IEEE Trans. Nucl. Set. 45, 2398 (1998)
6. N. S. Saks and D. B. Brown, Observation of H+ Motion During Interface Trap Formation, IEEE Trans. Nucl. Sei. 37, 1624(1990)
7. H, Scher and E. W. Montroll, Anomalous Transit-Time Dispersion in Amorphous Solids, Phys Rev. 512, 2455 (1975)
8. M. Silver, G. Schoenherr, and H. Baessler, Dispersive Hopping Transport from an Exponential Energy Distribution of Sites, Phys. Rev. Lett. 48, 352 (1982)
9. A. H. Edwards and G. Germann, Interaction of Hydrogenated Molecules with Intrinsic Defects in aSiOj, Nucl. Instr. and Meth. in Phys. Res. B 32, 238 (1988)
10. A. H, Edwards, J. A. Pickard, and R, E. Stahlbush, Interaction of Hydrogen with Defects in a-SiO2, J. Non-Crys. Sol. 179, 148 (1994)
11. S. P. Kama, R. D, Pugh, J. R. Chavez, W. Shedd, C. P. Brothers, B, K. Singaraju, M. Vitiello, G. Pacchioni, and R. A. B. Devine, Microscopic Mechanisms of Radiation-Induced Proton Density Decay in SiO2 Films, IEEE Trans. Nud. Sei. 45, 2408 (1998)
12. A. M. Ferreira, S. P. Kama, C. P. Brothers, R. D. Pugh, B. K. Singaraju, K. Vanheusden, W. L. Warren, and R. A, B. Devine, A Quantum Mechanical Investigation of Positively Charged Defects in SiO2 Thin-Film Devices, Mat. Res. Soc. Symp. Proc. 446, 247 (1997)
13. A. Yokozawa and Y. Miyamoto, First-Principles Calculations for Charged States of Hydrogen Atoms in Si02, Phys. Rev. B 55, 13783 (1997)
14. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joarmopoulos, Iterative Minimization Techniques for Ab Initio Total-Energy Calculations: Molecular Dynamics and Conjugate Gradients, Rev. Mod. Phys. 64, 1045 (1992)
15. D. Vanderbilt, Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism, Phys. Rév. B 41, 7892(1990)
16. D. R. Hamann, Generalized Gradient Theory for Silica Phase Transitions, Phys. Rev. Lett. 76, 660 (1996)
17. D. R. Hamann, Diffusion of Atomic Oxygen in SiO2, Phys. Rev. Lett. 81, 3447 (1998)
18. K.-O. Ng and D. Vanderbilt, Structure and Oxidation Kinetics of the Si(100)-SiO2 Interface, Phys. Rev B 59, 10132(1998)
19. M. Boero, A. Pasquarello, J. Sarnthein, R. Car, Structure and Hyperfine Parameters of E\ ' Centers in ffl-Quartz and in Vitreous SiO2, Phys. Rev Lett. 78, 887 (1997)
20. H. Jain and A. S. Nowick, Electrical Conductivity of Synthetic and Natural Quartz Crystals, J. Appl Phys. 53, 477 (1982)
21. J. F. lanak, Proof that OEI dn{ ~£( in DensityFunctional Theory, Phys. Rev. B 18, 7165 (1978)
22. W, Wang, G. Lupke, M. Di Ventra, S. T. Pantelides, J. M. Gilligan, N. H. Tolk, I. C. Kizilyalli, P. K. Roy, G. Margaritondo, and G. Lucovsky, Coupled Electron-Hole Dynamics at the Si/SiO2 Interface, Phys. Rev. Lett. 81, 4224(1998)
23. B. J, Mrstik and R. W. Rendell, Si-SiO2 Interface State Generation During X-Ray Irradiation and During PostIrradiation Exposure to a Hydrogen Ambient, IEEE Trans. Nud. Sei, 38,1101 (1991)
24. F. Reboredo, M. Ferconi, and S. T. Pantelides, to be published.