Real-time Ab initio simulations of excited carrier dynamics in carbon nanotubes

Physical Review Letters

Volumn 97, Issue 12, 2006, Pages

  Miyamoto, Yoshiyuki ^a   Rubio, Angel ^b   Tománek, David ^c,d  

^a NEC CORPORATION   (Japan)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^c MICHIGAN STATE UNIVERSITY   (United States)

^d UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON NANOTUBES; DAMPING; DEGREES OF FREEDOM (MECHANICS); ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; REAL TIME SYSTEMS;

DAMPING RATES; EXCITATION GAP; MOLECULAR DYNAMICS SIMULATIONS; PHOTOEXCITATION;

CHARGE CARRIERS;

EID: 33748922440     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.97.126104     Document Type: Article

References (32)

1. Carbon Nanotubes: Synthesis, Structure, Properties, and Applications, edited by, M.S. Dresselhaus, G. Dresselhaus, and, Ph. Avouris, (Springer-Verlag, Berlin, 2001).
2. S. Heinze, J. Tersoff, R. Martel, V. Derycke, J. Appenzeller, and Ph. Avouris, Phys. Rev. Lett. 89, 106801 (2002); PRLTAO 0031-9007 10.1103/PhysRevLett.89.106801
3. F. Nihey, H. Hongo, M. Yudasaka, and S. Iijima, Jpn. J. Appl. Phys. JAPNDE 0021-4922 41, L1049 (2002). 10.1143/JJAP.41.L1049
4. J.A. Misewich, Science 300, 783 (2003). SCIEAS 0036-8075 10.1126/science.1081294
5. Y. Wang, Appl. Phys. Lett. 85, 2607 (2004). APPLAB 0003-6951 10.1063/1.1797559
6. S.Y. Set, Proceedings of the Optical Fiber Communication Conference March 23-28, 2003, Alanta, Georgia, USA, (IEEE, Piscataway, NJ, 2003).
7. F. Wang, G. Dukovic, L.E. Brus, and T.F. Heinz, Science 308, 838 (2005), and references therein. SCIEAS 0036-8075 10.1126/science.1110265
8. T. Hertel and G. Moos, Phys. Rev. Lett. 84, 5002 (2000); PRLTAO 0031-9007 10.1103/PhysRevLett.84.5002
9. A. Hagen, G. Moos, V. Talalaev, and T. Hertel, Appl. Phys. A 78, 1137 (2004); APSFDB 0721-7250 10.1007/s00339-003-2465-1
10. L. Huang, H.N. Pedrosa, and T.D. Krauss, Phys. Rev. Lett. 93, 017403 (2004); PRLTAO 0031-9007 10.1103/PhysRevLett.93.017403
11. Y.-Z. Ma, J. Chem. Phys. 120, 3368 (2004). JCPSA6 0021-9606 10.1063/1.1640339
12. L.X. Benedict, V.H. Crespi, S.G. Louie, and M.L. Cohen, Phys. Rev. B PRBMDO 0163-1829 52, 14935 (1995); 10.1103/PhysRevB.52.14935
13. M. Ichida, Physica (Amsterdam) PHYBE3 0921-4526 323B, 237 (2002). 10.1016/S0921-4526(02)00976-6
14. K.P. Bohnen, R. Heid, H.J. Liu, and C.T. Chan, Phys. Rev. Lett. 93, 245501 (2004); PRLTAO 0031-9007 10.1103/PhysRevLett.93.245501
15. D. Connétable, G.M. Rignanese, J.C. Charlier, and X. Blase, Phys. Rev. Lett. 94, 015503 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.94.015503
16. E. Runge and E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984). PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
17. T.A. Niehaus, D. Heringer, B. Torralva, and Th. Frauenheim, Eur. Phys. J. D EPJDF6 1434-6060 35, 467 (2005). 10.1140/epjd/e2005-00079-7
18. V. Perebeinos, J. Tersoff, and P. Avouris, Phys. Rev. Lett. 94, 086802 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.94.086802
19. J. Jiang, Phys. Rev. B PRBMDO 0163-1829 71, 045417 (2005). 10.1103/PhysRevB.71.045417
20. C.D. Spataru, M.A. Cazalilla, A. Rubio, L.X. Benedict, P.M. Echenique, and S.G. Louie, Phys. Rev. Lett. 87, 246405 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.87.246405
21. O. Sugino and Y. Miyamoto, Phys. Rev. B PRBMDO 0163-1829 59, 2579 (1999); 10.1103/PhysRevB.59.2579
22. O. Sugino Y. Miyamoto Phys. Rev. B PRBMDO 0163-1829 66, 089901(E) (2002). 10.1103/PhysRevB.66.089901
23. J.P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 23, 5048 (1981); 10.1103/PhysRevB.23.5048
24. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980). PRLTAO 0031-9007 10.1103/PhysRevLett.45.566
25. N. Troullier and J.L. Martins, Phys. Rev. B PRBMDO 0163-1829 43, 1993 (1991); 10.1103/PhysRevB.43.1993
26. L. Kleinman and D.M. Bylander, Phys. Rev. Lett. 48, 1425 (1982). PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425
27. Z.M. Li, Phys. Rev. Lett. 87, 127401 (2001). PRLTAO 0031-9007 10.1103/PhysRevLett.87.127401
28. A.G. Marinopoulos, L. Reining, A. Rubio, and N. Vast, Phys. Rev. Lett. 91, 046402 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.91.046402
29. C. Manzoni, Phys. Rev. Lett. 94, 207401 (2005); PRLTAO 0031-9007 10.1103/PhysRevLett.94.207401
30. A. Gambetta, Nature Phys. 2, 515 (2006). 1745-2481 10.1038/nphys345
31. P. Ehrenfest, Z. Phys. 45, 455 (1927). ZEPYAA 0044-3328 10.1007/BF01329203
32. See EPAPS Document No. E-PRLTAO-97-032639 for the time dependence of the off-diagonal matrix elements of the Kohn-Sham matrix. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.