First-principles calculations of vibrational lifetimes and decay channels: Hydrogen-related modes in Si

Physical Review Letters

Volumn 96, Issue 11, 2006, Pages

  West, D ^a   Estreicher, S K ^a  

^a TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DECAY CHANNELS; VIBRATIONAL LIFETIMES; VIBRATIONAL MODES;

CALCULATIONS; HYDROGEN; SILICON;

LATTICE VIBRATIONS;

EID: 33645223673     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.96.115504     Document Type: Article

References (33)

1. T.-C. Shen, C. Wang, G.C. Abeln, J.R. Tucker, J.W. Lyding, Ph. Avouris, and R.E. Walkup, Science 268, 1590 (1995). SCIEAS 0036-8075
2. A. Stetsmans, Phys. Rev. B PRBMDO 0163-1829 61, 8393 (2000); 10.1103/PhysRevB.61.8393
3. A. Stetsmans J. Appl. Phys. 88, 489 (2000). JAPIAU 0021-8979 10.1063/1.373684
4. J.W. Lyding, K. Hess, and I.C. Kizilyalli, Appl. Phys. Lett. 68, 2526 (1996). APPLAB 0003-6951 10.1063/1.116172
5. L.C. Feldman, G. Lüpke, and N.H. Tolk, Solid State Phenom. DDBPE8 1012-0394 95-96, 123 (2004).
6. R. Biswas, Y.-P.Li, and B.C. Pan, Appl. Phys. Lett. 72, 3500 (1998); APPLAB 0003-6951 10.1063/1.121640
7. R. Biswas Y.-P.Li B.C. Pan J. Non-Cryst. Solids JNCSBJ 0022-3093 266-269, 176 (2000). 10.1016/S0022-3093(99)00806-6
8. M. Budde, G. Lüpke, C. Parks Cheney, N.H. Tolk, and L.C. Feldman, Phys. Rev. Lett. 85, 1452 (2000). PRLTAO 0031-9007 10.1103/PhysRevLett.85.1452
9. G. Lüpke, N.H. Tolk, and L.C. Feldman, J. Appl. Phys. 93, 1 (2003). JAPIAU 0021-8979 10.1063/1.1517164
10. G. Lüpke, X. Zhang, B. Sun, A. Fraser, N.H. Tolk, and L.C. Feldman, Phys. Rev. Lett. 88, 135501 (2002). PRLTAO 0031-9007 10.1103/PhysRevLett.88. 135501
11. M. Budde, C. Parks Cheney, G. Lüpke, N.H. Tolk, and L.C. Feldman, Phys. Rev. B PRBMDO 0163-1829 63, 195203 (2001). 10.1103/PhysRevB.63.195203
12. M. Budde, G. Lüpke, E. Chen, X. Zhang, N.H. Tolk, L.C. Feldman, E. Tarhan, A.K. Ramdas, and M. Stavola, Phys. Rev. Lett. 87, 145501 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.87.145501
13. A. Nitzan and J. Jortner, Mol. Phys. 25, 713 (1973); MOPHAM 0026-8976
14. A. Nitzan, S. Mukamel, and J. Jortner, J. Chem. Phys. 60, 3929 (1974). JCPSA6 0021-9606 10.1063/1.1680840
15. S.A. Egorov and J.L. Skinner, J. Chem. Phys. 103, 1533 (1995). JCPSA6 0021-9606 10.1063/1.469775
16. B. Sun, G.A. Shi, S.V.S. Nageswara, M. Stavola, N.H. Tolk, S.K. Dixit, L.C. Feldman, and G. Lüpke, Phys. Rev. Lett. (to be published). PRLTAO 0031-9007
17. J. Fabianand and P.B. Allen, Phys. Rev. Lett. 77, 3839 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3839
18. S.R. Bickham and J.L. Feldman, Phys. Rev. B PRBMDO 0163-1829 57, 12234 (1998). 10.1103/PhysRevB.57.12234
19. D. Sánchez-Portal, P. Ordejón, E. Artacho, and J.M. Soler, Int. J. Quantum Chem. IJQCB2 0020-7608 65, 453 (1997). 10.1002/(SICI)1097- 461X(1997)65:5<453::AID-QUA9>3.0.CO;2-V
20. E. Artacho, D. Sánchez-Portal, P. Ordejón, A. García, and J.M. Soler, Phys. Status Solidi B PSSBBD 0370-1972 215, 809 (1999). 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0. CO;2-0
21. L. Kleiman and D.M. Bylander, Phys. Rev. Lett. 48, 1425 (1982). PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425
22. D.M. Ceperley and B.J. Adler, Phys. Rev. Lett. 45, 566 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
23. S. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 23, 5048 (1981). 10.1103/PhysRevB.23.5048
24. O.F. Sankey and D.J. Niklevski, Phys. Rev. B PRBMDO 0163-1829 40, 3979 (1989); 10.1103/PhysRevB.40.3979
25. O.F. Sankey, D.J. Niklevski, D.A. Drabold, and J.D. Dow, Phys. Rev. B PRBMDO 0163-1829 41, 12750 (1990). 10.1103/PhysRevB.41.12750
26. S. Baroni, P. Gioannozzi, and A. Testa, Phys. Rev. Lett. 58, 1861 (1987). PRLTAO 0031-9007 10.1103/PhysRevLett.58.1861
27. X. Gonze, Phys. Rev. A 52, 1096 (1995); PLRAAN 1050-2947 10.1103/PhysRevA.52.1096
28. X. Gonze and C. Lee, Phys. Rev. B PRBMDO 0163-1829 55, 10355 (1997). 10.1103/PhysRevB.55.10355
29. J.M. Pruneda, S.K. Estreicher, J. Junquera, J. Ferrer, and P. Ordejón, Phys. Rev. B PRBMDO 0163-1829 65, 075210 (2002). 10.1103/PhysRevB.65.075210
30. J.D. Holbech, B. Bech Nielsen, R. Jones, P. Sitch, and S. Ãberg, Phys. Rev. Lett. 71, 875 (1993). PRLTAO 0031-9007 10.1103/PhysRevLett.71.875
31. G. Peslherbe, X. Wang, and W. Hase, in Monte Carlo Methods in Chemical Physics, edited by, D.M. Ferguson, J. Ila Siepmann, and, D.G. Truhlar, (Wiley, New York, 1998).
32. S.K. Estreicher, D. West, J. Goss, S. Knack, and J. Weber, Phys. Rev. Lett. 90, 035504 (2003); PRLTAO 0031-9007 10.1103/PhysRevLett.90.035504
33. S.K. Estreicher, D. West, and M. Sanati, Phys. Rev. B PRBMDO 0163-1829 72, 121201(R) (2005). 10.1103/PhysRevB.72.121201