High stability of faceted nanotubes and fullerenes of multiphase layered phosphorus: A computational study

Physical Review Letters

Volumn 113, Issue 22, 2014, Pages

  Guan, Jie ^a   Zhu, Zhen ^a   Tománek, David ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; FULLERENES; METAL INSULATOR BOUNDARIES; MONOLAYERS; NANOTUBES; SEMICONDUCTOR INSULATOR BOUNDARIES; YARN;

AB INITIO; CHIRAL INDEX; COMPUTATIONAL STUDIES; FULLERENE STRUCTURE; PLANAR MONOLAYERS; SUBSTANTIAL ENERGY;

METAL INSULATOR TRANSITION;

EID: 84914670813     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.113.226801     Document Type: Article

References (35)

1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov, Science 306, 666 (2004). SCIEAS 0036-8075 10.1126/science.1102896
2. Y. Zhang, Y.-W. Tan, H.L. Stormer, and P. Kim, Nature (London) 438, 201 (2005). NATUAS 0028-0836 10.1038/nature04235
3. S. Iijima, Nature (London) 354, 56 (1991). NATUAS 0028-0836 10.1038/354056a0
4. H.W. Kroto, J.R. Heath, S.C. O'Brien, R.F. Curl, and R.E. Smalley, Nature (London) 318, 162 (1985). NATUAS 0028-0836 10.1038/318162a0
5. H. Liu, A.T. Neal, Z. Zhu, Z. Luo, X. Xu, D. Tomanek, and P.D. Ye, ACS Nano 8, 4033 (2014). ANCAC3 1936-0851 10.1021/nn501226z
6. L. Li, Y. Yu, G.J. Ye, Q. Ge, X. Ou, H. Wu, D. Feng, X.H. Chen, and Y. Zhang, Nat. Nanotechnol. 9, 372 (2014). NNAABX 1748-3387 10.1038/nnano.2014.35
7. I. Cabria and J.W. Mintmire, Europhys. Lett. 65, 82 (2004). EULEEJ 0295-5075 10.1209/epl/i2003-10043-1
8. G. Seifert and E. Hernández, Chem. Phys. Lett. 318, 355 (2000). CHPLBC 0009-2614 10.1016/S0009-2614(99)00045-2
9. A.J. Karttunen, M. Linnolahti, and T.A. Pakkanen, ChemPhysChem 9, 2550 (2008); CPCHFT 1439-4235 10.1002/cphc.200800646
10. A.J. Karttunen M. Linnolahti T.A. Pakkanen Chem. Eur. J. 13, 5232 (2007). CEUJED 0947-6539 10.1002/chem.200601572
11. J.-G. Han and J.A. Morales, Chem. Phys. Lett. 396, 27 (2004). CHPLBC 0009-2614 10.1016/j.cplett.2004.07.107
12. G. Seifert, T. Heine, and P. Fowler, Eur. Phys. J. D 16, 341 (2001). EPJDF6 1434-6060 10.1007/s100530170125
13. Z. Zhu and D. Tománek, Phys. Rev. Lett. 112, 176802 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.112.176802
14. J. Guan, Z. Zhu, and D. Tománek, Phys. Rev. Lett. 113, 046804 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.113.046804
15. S.E. Boulfelfel, G. Seifert, Y. Grin, and S. Leoni, Phys. Rev. B 85, 014110 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.014110
16. M. Endo, Y. Kim, T. Hayashi, K. Nishimura, T. Matusita, K. Miyashita, and M. Dresselhaus, Carbon 39, 1287 (2001). CRBNAH 0008-6223 10.1016/S0008-6223(00)00295-5
17. Q. Lu, X.G. Hu, H. Chen, and Y.Z. Mao, Chinese Patent No. ZL-03153105.9 (2005).
18. C.-M. Park and H.-J. Sohn, Adv. Mater. 19, 2465 (2007). ADVMEW 0935-9648 10.1002/adma.200602592
19. E. Artacho, E. Anglada, O. Dieguez, J.D. Gale, A. Garcia, J. Junquera, R.M. Martin, P. Ordejon, J.M. Pruneda, D. Sanchez-Portal, and J.M. Soler, J. Phys. Condens. Matter 20, 064208 (2008). JCOMEL 0953-8984 10.1088/0953-8984/20/6/064208
20. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
21. N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991). PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
22. J. Klimeš, D.R. Bowler, and A. Michaelides, J. Phys. Condens. Matter 22, 022201 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
23. J. Klimeš, D.R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
24. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
25. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976). PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
26. M.R. Hestenes and E. Stiefel, J. Res. Natl. Bur. Stand. 49, 409 (1952). JRNBAG 0160-1741 10.6028/jres.049.044
27. See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevLett.113.226801 for additional information regarding nanotube nomenclature, structural and electronic properties of additional single-wall and multiwall phosphorene nanotubes and fullerenes, molecular dynamics simulations pertaining to their thermal stability, and the effect of van der Waals interactions.
28. D. Tomanek, W. Zhong, and E. Krastev, Phys. Rev. B 48, 15461 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.48.15461
29. C. Kittel, Introduction to Solid State Physics, 8th ed. (Wiley, Hoboken, NJ, 2004).
30. A.S. Rodin, A. Carvalho, and A.H. Castro Neto, Phys. Rev. Lett. 112, 176801 (2014). PRLTAO 0031-9007 10.1103/PhysRevLett.112.176801
31. R. Fei and L. Yang, Nano Lett. 14, 2884 (2014). NALEFD 1530-6984 10.1021/nl500935z
32. L. Shulenburger (private communication).
33. L. Shulenburger and T.R. Mattsson, Phys. Rev. B 88, 245117 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.245117
34. N. Gonzalez Szwacki, A. Sadrzadeh, and B.I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.98.166804
35. H.-J. Zhai, Y.-F. Zhao, W.-L. Li, Q. Chen, H. Bai, H.-S. Hu, Z.A. Piazza, W.-J. Tian, H.-G. Lu, Y.-B. Wu, Y.-W. Mu, G.-F. Wei, Z.-P. Liu, J. Li, S.-D. Li, and L.-S. Wang, Nat. Chem. 6, 727 (2014). NCAHBB 1755-4330 10.1038/nchem.1999