Modeling spin interactions in carbon peapods using a hybrid density functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 77, Issue 23, 2008, Pages

  Ge, Ling ^a   Montanari, Barbara ^b   Jefferson, John H ^c   Pettifor, David G ^a   Harrison, Nicholas M ^b,d   Briggs, G Andrew D ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c Sensors and Electronics Division   (United Kingdom)

^d IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 45249093407     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.77.235416     Document Type: Article

References (31)

1. S. C. Benjamin and S. Bose, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.247901 90, 247901 (2003).
2. B. W. Smith, M. Monthioux, and D. E. Luzzi, Nature (London) NATUAS 0028-0836 10.1038/24521 396, 323 (1998).
3. A. Ardavan, M. Austwick, S. C. Benjamin, G. A. D. Briggs, T. J. S. Dennis, A. Ferguson, D. G. Hasko, M. Kanai, A. N. Khlobystov, B. W. Lovett, G. W. Morley, R. A. Oliver, D. G. Pettifor, K. Porfyrakis, J. H. Reina, J. H. Rice, J. D. Smith, R. A. Taylor, D. A. Williams, C. Adelmann, H. Mariette, and R. J. Hamers, Philos. Trans. R. Soc. London, Ser. A PTRMAD 0962-8428 10.1098/rsta.2003.1214 361, 1473 (2003).
4. R. Kitaura and H. Shinohara, Jpn. J. Appl. Phys., Part 1 46, 881 (2007). 0021-4922
5. G. W. Morley, B. J. Herbert, S. M. Lee, K. Porfyrakis, T. J. S. Dennis, D. Nguyen-Manh, R. Scipioni, J. van Tol, A. P. Horsfield, A. Ardavan, D. G. Pettifor, J. C. Green, and G. A. D. Briggs, Nanotechnology NNOTER 0957-4484 10.1088/0957-4484/16/11/001 16, 2469 (2005).
6. S. C. Benjamin and S. Bose, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.70.032314 70, 032314 (2004).
7. J. Fitzsimons, L. Xiao, S. C. Benjamin, and J. A. Jones, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.030501 99, 030501 (2007).
8. J. Baugh, O. Moussa, C. A. Ryan, A. Nayak, and R. Laflamme, Nature (London) NATUAS 0028-0836 10.1038/nature04272 438, 470 (2005).
9. S. C. Benjamin, A. Ardavan, G. A. D. Briggs, D. A. Britz, D. Gunlycke, J. H. Jefferson, M. A. G. Jones, D. F. Leigh, B. W. Lovett, A. N. Khlobystov, S. A. Lyon, J. J. L. Morton, K. Porfyrakis, M. R. Sambrook, and A. M. Tyryshkin, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/18/21/S12 18, S867 (2006).
10. Y. Cho, S. Han, G. Kim, H. Lee, and J. Ihm, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.106402 90, 106402 (2003).
11. S. Okada, S. Saito, and A. Oshiyama, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.3835 86, 3835 (2001).
12. T. Okazaki, T. Shimada, K. Suenaga, Y. Ohno, T. Mizutani, J. Lee, Y. Kuk, and H. Shinohara, Appl. Phys. A: Mater. Sci. Process. APAMFC 0947-8396 10.1007/s00339-002-2039-7 76, 475 (2003).
13. M. Otani, S. Okada, and A. Oshiyama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.125424 68, 125424 (2003).
14. O. Dubay and G. Kresse, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.165424 70, 165424 (2004).
15. M. H. Du and H. P. Cheng, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.113402 68, 113402 (2003).
16. J. Lu, S. Nagase, S. Zhang, and L. Peng, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.121402 68, 121402 (R) (2003).
17. J. Lu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.235417 71, 235417 (2005).
18. R. Saito, G. Dresselhaus, and M. S. Dresselhaus, Physical Properties of Carbon Nanotubes (Imperial College Press, London, 1998).
19. A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
20. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
21. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
22. R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, Ph. D'Arco, and M. Llunell, CRYSTAL06 Users Manual (University of Torino, Torino, 2006).
23. H. B. Schelegel, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.540030212 3, 214 (1982).
24. R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740588 23, 1833 (1955).
25. J. Lu, X. Zhang, X. Zhao, S. Nagase, and K. Kobayashi, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00)01274-4 332, 219 (2000).
26. W. Harneit, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.65.032322 65, 032322 (2002).
27. J. A. Chan, B. Montanari, J. D. Gale, S. M. Bennington, J. W. Taylor, and N. M. Harrison, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.041403 70, 041403 (R) (2004).
28. Y. Ito, W. Fujita, T. Okazaki, T. Sugai, K. Awaga, E. Nishibori, M. Takata, M. Sakata, and H. Shinohara, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200700097 8, 1019 (2007).
29. D. G. Pettifor, Bonding and Structure of Molecules and Solids (Oxford University Press, Oxford, UK, 1995).
30. A. C. Hewson, The Kondo Problem to Heavy Fermions (Cambridge University Press, Cambridge, 1993).
31. M. A. Ruderman and C. Kittel, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.96.99 96, 99 (1954).