Functionalization of monolayer MoS2 by substitutional doping: A first-principles study

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 377, Issue 19-20, 2013, Pages 1362-1367

  Yue, Qu ^a   Chang, Shengli ^a   Qin, Shiqiao ^a   Li, Jingbo ^b  

^a NATIONAL UNIVERSITY OF DEFENSE TECHNOLOGY   (China)

^b INSTITUTE OF SEMICONDUCTORS   (China)

Author keywords

First principles calculations; Half metal; Magnetic moment; Substitutional doping

Indexed keywords

BORON COMPOUNDS; CALCULATIONS; LAYERED SEMICONDUCTORS; MAGNETIC MOMENTS; MOLYBDENUM COMPOUNDS; MONOLAYERS; SEMICONDUCTOR DOPING; TRANSITION METALS;

ELECTRONIC AND MAGNETIC PROPERTIES; FE AND CO; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FUNCTIONALIZATIONS; HALF METALS; MAGNETIC BEHAVIOR; TRANSITION METAL ATOMS;

SULFUR COMPOUNDS;

EID: 84876406428     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2013.03.034     Document Type: Article

References (44)

1. K.S. Novoselov, D. Jiang, F. Schedin, T.J. Booth, V.V. Khotkevich, S.V. Morozov, and A.K. Geim Proc. Natl. Acad. Sci. USA 102 2005 10451
2. A.K. Geim, and K.S. Novoselov Nature Mater. 6 2007 183
3. A.H. Castro Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, and A.K. Geim Rev. Mod. Phys. 81 2009 109
4. C.H. Jin, F. Lin, K. Suenaga, and S. Iijima Phys. Rev. Lett. 102 2009 195505
5. K.F. Mak, C. Lee, J. Hone, J. Shan, and T.F. Heinz Phys. Rev. Lett. 105 2010 136805
6. A. Splendiani, L. Sun, Y. Zhang, T. Li, J. Kim, C.-Y. Chim, G. Galli, and F. Wang Nano Lett. 10 2010 1271
7. K.F. Mak, K. He, J. Shan, and T.F. Heinz Nature Nanotechnol. 7 2012 494
8. S. Lebègue, and O. Eriksson Phys. Rev. B 79 2009 115409
9. C. Ataca, M. Topsakal, E. Aktürk, and S. Ciraci J. Phys. Chem. C 115 2011 16354
10. A. Kuc, N. Zibouche, and T. Heine Phys. Rev. B 83 2011 24513
11. A. Molina-Sánchez, and L. Wirtz Phys. Rev. B 84 2011 155413
12. P. Johari, and V.B. Shenoy ACS Nano 6 2012 5449
13. Y. Ding, Y. Wang, J. Ni, L. Shi, S. Shi, and W. Tang Physica B 406 2011 2254
14. T. Cheiwchanchamnangij, and W.R.L. Lambrecht Phys. Rev. B 85 2012 205302
15. Q. Yue, J. Kang, Z. Shao, X. Zhang, S. Chang, G. Wang, S. Qin, and J. Li Phys. Lett. A 376 2012 1166
16. Z.Y. Zhu, Y.C. Cheng, and U. Schwingenschlögl Phys. Rev. B 84 2011 153402
17. W.S. Yun, S.W. Han, S.C. Hong, I.G. Kim, and J.D. Lee Phys. Rev. B 85 2012 033305
18. E.S. Kadantsev, and P. Hawrylak Solid State Commun. 152 2012 909
19. J.N. Coleman, M. Lotya, A. ONeil, S.D. Bergin, P.J. King, U. Khan, K. Young, A. Gaucher, S. De, and R.J. Smith Science 331 2011 568
20. Z. Zeng, Z. Yin, X. Huang, H. Li, Q. He, G. Lu, F. Boey, and H. Zhang Angew. Chem. Int. Ed. 50 2011 1
21. A. Castellanos-Gomez, M. Barkelid, A.M. Goossens, V.E. Calado, H.S.J. van der Zant, and G.A. Steele Nano Lett. 12 2012 3187
22. B. Radisavljevic, A. Radenovic, J. Brivio, V. Giacometti, and A. Kis Nature Nanotechnol. 6 2011 147
23. B. Radisavljevic, M.B. Whitwick, and A. Kis ACS Nano 5 2011 9934
24. Z. Yin, H. Li, H. Li, L. Jiang, Y. Shi, Y. Sun, G. Lu, Q. Zhang, X. Chen, and H. Zhang ACS Nano 6 2012 74
25. J. He, K. Wu, R. Sa, Q. Li, and Y. Wei Appl. Phys. Lett. 96 2010 082504
26. Y. Li, D. Wu, Z. Zhou, C.R. Cabrera, and Z. Chen J. Phys. Chem. Lett. 3 2012 2221
27. C. Ataca, and S. Ciraci J. Phys. Chem. C 115 2011 13303
28. D.C. Sorescu, D.S. Sholl, and A.V. Cugini J. Phys. Chem. B 107 2003 1988
29. D.C. Sorescu, D.S. Sholl, and A.V. Cugini J. Phys. Chem. B 108 2004 239
30. P.G. Moses, J.J. Mortensen, B.I. Lundqvist, and J.K. Nørskov J. Chem. Phys. 130 2009 104709
31. H.-P. Komsa, J. Kotakoski, S. Kurasch, O. Lehtinen, U. Kaiser, and A.V. Krasheninnikov Phys. Rev. Lett. 109 2012 035503
32. A.V. Krasheninnikov, P.O. Lehtinen, A.S. Foster, P. Pyykkö, and R.M. Nieminen Phys. Rev. Lett. 102 2009 126807
33. X. Wei, M.-S. Wang, Y. Bando, and D. Golberg ACS Nano 5 2011 2916
34. J.A. Rodríguez-Manzo, O. Cretu, and F. Banhart ACS Nano 4 2010 3422
35. Y.G. Zhou, P. Yang, Z.G. Wang, X.T. Zu, H.Y. Xiao, X. Sun, M.A. Khaleel, and F. Gao Phys. Chem. Chem. Phys. 13 2011 7378
36. H. Şahin, R.T. Senger, and S. Ciraci J. Appl. Phys. 108 2010 074301
37. C. Ataca, E. Aktürk, H. Şahin, and S. Ciraci J. Appl. Phys. 109 2011 013704
38. P.E. Blochl Phys. Rev. B 50 1994 17953
39. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
40. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
41. G. Henkelman, A. Arnaldsson, and H. Jonsson Comput. Mater. Sci. 36 2006 354
42. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
43. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
44. P.O. Lehtinen, A.S. Foster, Y. Ma, A.V. Krasheninnikov, and R.M. Nieminen Phys. Rev. Lett. 93 2004 187202