Fluorination-induced half-metallicity in zigzag boron nitride nanoribbons: First-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 19, 2010, Pages

  Wang, Yanli ^a   Ding, Yi ^b,c   Ni, Jun ^b  

^a ZHEJIANG SCI TECH UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

^c HANGZHOU NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77955571755     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.193407     Document Type: Article

References (31)

1. D. Pacilé, J. C. Meyer, C. O. Girit, and A. Zettl, Appl. Phys. Lett. 92, 133107 (2008). 10.1063/1.2903702
2. W.-Q. Han, L. Wu, Y. Zhu, K. Watanabe, and T. Taniguchi, Appl. Phys. Lett. 93, 223103 (2008). 10.1063/1.3041639
3. C. Jin, F. Lin, K. Suenaga, and S. Iijima, Phys. Rev. Lett. 102, 195505 (2009). 10.1103/PhysRevLett.102.195505
4. S. Okada, Phys. Rev. B 80, 161404 (R) (2009). 10.1103/PhysRevB.80.161404
5. M. Topsakal, E. Aktürk, and S. Ciraci, Phys. Rev. B 79, 115442 (2009) 10.1103/PhysRevB.79.115442
6. Y. Wang, Phys. Status Solidi (RRL) 4, 34 (2010). 10.1002/pssr.200903374
7. Z. Zhang and W. Guo, Phys. Rev. B 77, 075403 (2008). 10.1103/PhysRevB.77. 075403
8. C.-H. Park and S. G. Louie, Nano Lett. 8, 2200 (2008). 10.1021/nl080695i
9. W. Chen, Y. Li, G. Yu, Z. Zhou, and Z. Chen, J. Chem. Theory Comput. 5, 3088 (2009). 10.1021/ct900388x
10. F. Zheng, G. Zhou, Z. Liu, J. Wu, W. Duan, B.-L. Gu, and S. B. Zhang, Phys. Rev. B 78, 205415 (2008). 10.1103/PhysRevB.78.205415
11. L. Lai, J. Lu, L. Wang, G. Luo, J. Zhou, R. Qin, Z. Gao, and W. Mei, J. Phys. Chem. C 113, 2273 (2009). 10.1021/jp8079827
12. V. Barone and J. E. Peralta, Nano Lett. 8, 2210 (2008). 10.1021/nl080745j
13. F. Zheng, K. Sasaki, R. Saito, W. Duan, and B.-L. Gu, J. Phys. Soc. Jpn. 78, 074713 (2009). 10.1143/JPSJ.78.074713
14. Y. Ding, Y. Wang, and J. Ni, Appl. Phys. Lett. 94, 233107 (2009). 10.1063/1.3152767
15. N. Lu, Z. Li, and J. Yang, J. Phys. Chem. C 113, 16741 (2009). 10.1021/jp904208g
16. J. Zhou, M. M. Wu, X. Zhou, and Q. Sun, Appl. Phys. Lett. 95, 103108 (2009). 10.1063/1.3225154
17. M. Maruyama and K. Kusakabe, J. Phys. Soc. Jpn. 73, 656 (2004). 10.1143/JPSJ.73.656
18. K. N. Kudin, ACS Nano 2, 516 (2008). 10.1021/nn700229v
19. C. Tang, Y. Bando, Y. Huang, S. Yue, C. Gu, F. Xu, and D. Golberg, J. Am. Chem. Soc. 127, 6552 (2005). 10.1021/ja042388u
20. Z. Zhou, J. Zhao, Z. Chen, and P. R. Schleyer, J. Phys. Chem. B 110, 25678 (2006). 10.1021/jp063257d
21. L. Lai, W. Song, J. Lu, Z. Gao, S. Nagase, M. Ni, W. N. Mei, J. Liu, D. Yu, and H. Ye, J. Phys. Chem. B 110, 14092 (2006). 10.1021/jp061203y
22. F. Li, Z. Zhu, X. Yao, G. Lu, M. Zhao, Y. Xia, and Y. Chen, Appl. Phys. Lett. 92, 102515 (2008). 10.1063/1.2894507
23. Z. Zhang and W. Guo, J. Am. Chem. Soc. 131, 6874 (2009). 10.1021/ja901586k
24. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejo, and D. Sánchez-Portal, J. Phys.: Condens. Matter 14, 2745 (2002). 10.1088/0953-8984/14/11/302
25. M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 65, 165401 (2002). 10.1103/PhysRevB.65.165401
26. J. Goniakowski, F. Finocchi, and C. Noguera, Rep. Prog. Phys. 71, 016501 (2008). 10.1088/0034-4885/71/1/016501
27. C. Fang, M. A. van Huis, D. Vanmaekelbergh, and H. W. Zandbergen, ACS Nano 4, 211 (2010). 10.1021/nn9013406
28. S. Dutta, A. K. Manna, and S. K. Pati, Phys. Rev. Lett. 102, 096601 (2009). 10.1103/PhysRevLett.102.096601
29. The data of ionization potential and electron affinity is adopted from http://chemed.chem.purdue.edu/genchem/topicreview/bp/ch7/ie-ea.html
30. The formula of the chemical potential for fluorine is adopted from T. Wassmann, A. P. Seitsonen, A. M. Saitta, M. Lazzeri and F. Mauri, Phys. Rev. Lett. 101, 096402 (2008) 10.1103/PhysRevLett.101.096402
31. and the data are obtained from D. R. Lide, CRC Handbook of Chemistry and Physics (CRC, Boca Raton, 2008).