Transition from half metal to semiconductor in Li doped g -C 4N3

Journal of Applied Physics

Volumn 115, Issue 12, 2014, Pages

  Hashmi, Arqum ^a   Hu, Tao ^a   Hong, Jisang ^a  

^a Pukyong National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRONIC STRUCTURE; ENERGY GAP; MAGNETIC PROPERTIES; SEMICONDUCTOR DOPING; VAN DER WAALS FORCES;

DONOR ELEMENTS; DOPED SYSTEMS; ELECTRONIC AND MAGNETIC PROPERTIES; GRAPHITIC CARBON NITRIDES; NONMAGNETIC STATE; STRUCTURAL AND MAGNETIC PROPERTIES; STRUCTURAL MODIFICATIONS; VAN DER WAALS;

LITHIUM;

EID: 84898034946     PISSN: 00218979     EISSN: 10897550     Source Type: Journal    
DOI: 10.1063/1.4869778     Document Type: Article

References (31)

1. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, I. V. Grigorievan, S. V. Dubonos, and A. A. Firsov, Science 306, 666 (2004). 10.1126/science.1102896
2. D. Yang, S. J. Sandoval, W. M. R. Divigalpitiya, J. C. Irwin, and R. F. Frindt, Phys. Rev. B 43, 12053 (1991). 10.1103/PhysRevB.43.12053
3. D. Kim, A. Hashmi, C. Hwang, and J. Hong, Appl. Phys. Lett. 102, 112403 (2013). 10.1063/1.4795764
4. E. Kroke, M. Schwarz, E. Horath-Bordon, P. Kroll, B. Noll, and A. D. Norman, New J. Chem. 26, 508 (2002). 10.1039/b111062b
5. H. Qiu, Z. Wang, and X. Sheng, Phys. Lett. A 377, 347 (2013). 10.1016/j.physleta.2012.11.050
6. X. Zhang, M. Zhao, A. Wang, X. Wang, and A. Du, J. Mater. Chem. C 1, 6265 (2013). 10.1039/c3tc31213e
7. M. Venkatesan, C. B. Fitzerald, and J. M. D. Coey, Nature 430, 630 (2004). 10.1038/430630a
8. A. Sundaresan, R. Bhargavi, N. Rangarajan, U. Siddesh, and C. N. R. Rao, Phys. Rev. B 74, 161306-R (2006). 10.1103/PhysRevB.74.161306
9. J. Yang, D. Kim, J. Hong, and X. Qian, Surf. Sci. 604, 1603 (2010). 10.1016/j.susc.2010.06.001
10. D. Kim, J. Hong, Y. R. Park, and K. J. Kim, J. Phys.: Condens. Matter 21, 195405 (2009). 10.1088/0953-8984/21/19/195405
11. S. Stolbov and S. Zuluaga, J. Phys.: Condens. Matter 25, 085507 (2013). 10.1088/0953-8984/25/8/085507
12. W. Wei and T. Jacob, Phys. Rev. B 87, 085202 (2013). 10.1103/PhysRevB.87. 085202
13. X. Wang, K. Maeda, A. Thomas, K. Takanabe, G. Xin, J. M. Carlsson, K. Domen, and M. Antonietti, Nature Mater. 8, 76 (2009). 10.1038/nmat2317
14. H. Pan, Y. W. Zhang, V. B. Shenoy, and H. Gao, ACS Catal. 1, 99 (2011). 10.1021/cs100045u
15. J. S. Lee, X. Wang, H. Luo, and S. Dai, Adv. Mater. 22, 1004 (2010). 10.1002/adma.200903403
16. A. Du, S. Sanvito, and S. C. Smith, Phys. Rev. Lett. 108, 197207 (2012). 10.1103/PhysRevLett.108.197207
17. Y. Li, S. Sanvito, and S. Hou, J. Mater. Chem. C 1, 3655 (2013). 10.1039/c3tc30371c
18. S. J. Sun, J. Magn. Magn. Mater. 344, 39 (2013) 10.1016/j.jmmm.2013.05. 037.
19. A. Hashmi and J. Hong, Sci. Rep. 4, 4374 (2014). 10.1038/srep04374
20. M. Wu, Q. Wang, Q. Sun, and P. Jena, J. Phys. Chem. C 117, 6055 (2013). 10.1021/jp311972f
21. G. Kresse and J. Furthmuller, J. Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
22. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
23. J. Klimeš, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 022201 (2010). 10.1088/0953-8984/22/2/022201
24. M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). 10.1103/PhysRevLett.92.246401
25. G. Graziano, J. Klimeš, F. Fernandez-Alonso, and A. Michaelides, J. Phys.: Condens. Matter 24, 424216 (2012). 10.1088/0953-8984/24/42/424216
26. W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko, Phys. Rev. B 86, 245405 (2012). 10.1103/PhysRevB.86.245405
27. W. Tang, E. Sanville, and G. Henkelman, J. Phys.: Condens. Matter 21, 084204 (2009). 10.1088/0953-8984/21/8/084204
28. E. Sanville, S. D. Kenny, R. Smith, and G. Henkelman, J. Comput. Chem. 28, 899 (2007). 10.1002/jcc.20575
29. G. Henkelman, A. Arnaldsson, and H. Jónsson, Comput. Mater. Sci. 36, 354 (2006). 10.1016/j.commatsci.2005.04.010
30. Y. Xu and S. P. Gao, International Journal of Hydrogen Energy 37, 11072 (2012). 10.1016/j.ijhydene.2012.04.138
31. R. Lu, D. Rao, Z. Meng, X. Zhang, G. Xu, Y. Liu, E. Kan, C. Xiao, and K. Deng, Phys. Chem. Chem. Phys. 15, 16120 (2013). 10.1039/c3cp52364k