Electronic structure of the substitutional vacancy in graphene: Density-functional and green's function studiesauth

New Journal of Physics

Volumn 14, Issue , 2012, Pages

  Nanda, B R K ^a,b   Sherafati, M ^a,c   Popovic Z S ^a   Satpathy, S ^a  

^a UNIVERSITY OF MISSOURI   (United States)

^b INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

^c UNIVERSITY OF BELGRADE   (Serbia)

Author keywords

[No Author keywords available]

Indexed keywords

BAND CALCULATION; CRYSTAL FIELDS; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL STUDY; DIRAC POINT; HUND'S RULE COUPLINGS; LINEAR AUGMENTED PLANE WAVES; LIPPMANN-SCHWINGER EQUATIONS; LOCALIZED STATE; PLANAR STRUCTURE; RESONANCE STATE; SPIN-POLARIZED; SUPER CELL; TIGHT BINDING; UNIQUE FEATURES;

BAND STRUCTURE; ELECTRONIC STRUCTURE; GRAPHENE; GREEN'S FUNCTION; JAHN-TELLER EFFECT; WAVE FUNCTIONS;

MAGNETIC MOMENTS;

EID: 84865228556     PISSN: 13672630     EISSN: None     Source Type: Journal    
DOI: 10.1088/1367-2630/14/8/083004     Document Type: Article

References (44)

1. Castro Neto A H, Guinea F, Peres N M R, Novoselov K S and Geim A K 2009 Rev. Mod. Phys. 81 109.
2. Abergel D S L, Apalkov V, Berashevich J, Ziegler K and Chakraborty T 2010 Adv. Phys. 59 261.
3. Bhattacharya A, Bhattacharya S, Majumder C and Das G P 2010 J. Phys. Chem. C 114 10297.
4. Hashimoto A, Suenaga K, Gloter A, Urita K and Iijima S 2004 Nature 430 870.
5. Ewels C P, Telling R H, El-barbary A A, Heggie M I and Briddon P R 2003 Phys. Rev. Lett. 91 25505.
6. Nortlund K, Keinonen J and Matilla T 1996 Phys. Rev. Lett. 77 699.
7. Esquinazi P, Spemann D, Höhne R, Setzer A, Han K-H and Butz T 2003 Phys. Rev. Lett. 91 227201.
8. Kushmeric J G, Kelly K F, Rust H-P, Halas N J and Weiss P S 1999 J. Phys. Chem. B 103 1619.
9. Barzola-Quiquia J, Esquinazi P, Rothermel M, Spemann D, Butz T and Garcia N 2007 Phys. Rev. B 76 161403.
10. Ugeda M M, Brihuega I, Guinea F and Ǵomez-Rodŕiguez J M 2010 Phys. Rev. Lett. 104 096804.
11. Červenka J, Katsnelson M I and Flipse J C F 2009 Nature Phys. 5 840.
12. El-Barbary A A, Telling R H, Ewels C P, Heggie M I and Briddon P R 2003 Phys. Rev. B 68 144107.
13. Yazyev O V and Helm L 2007 Phys. Rev. B 75 125408.
14. Choi S, Jeong B W, Kim S and Kim G 2008 J. Phys.: Condens. Matter 20 235220.
15. Singh R and Kroll P 2009 J. Phys.: Condens. Matter 21 196002.
16. Yang X, Xia H, Qin X, Li W, Dai Y, Liu X, Zhao M, Xia Y, Yan S and Wang B 2009 Carbon 47 1399.
17. Faccio R, Ferńandez-Werner L, Pardo H, Goyenola C, Ventura O N and Mombr'u A W 2010 J. Phys. Chem. C 114 18961.
18. Telling R H, Ewels C P, El-Barbary A A and Heggie M I 2003 Nature Mater. 2 333.
19. Lehtinen P O, Foster A S, Ma Y, Krasheninnikov A V and Nieminen R M 2004 Phys. Rev. Lett. 93 187202.
20. Ma Y, Lehtinen P O, Foster A S and Nieminen R M 2004 New J. Phys. 6 68.
21. Lim D-H, Negreira A S and Wilcox J 2011 J. Phys. Chem. C 115 8961.
22. Dai X Q, Zhao J H, Xie M H, Tang Y N, Li Y H and Zhao B 2011 Eur. Phys. J. B 80 343.
23. Forte G, Grassi A, Lombardo G M, La Magna A, Angilella G G N, Pucci R and Vilardi R 2008 Phys. Lett. A 372 6168.
24. Palacios J J and Yndur'ain F 2012 arXiv:1203.6485v1.
25. Pereira V M, Lopes dos Santos J M B and Castro Neto A H 2008 Phys. Rev. B 77 115109.
26. Hjort M and Stafström S 2000 Phys. Rev. B 61 14089.
27. Palacios J J, Ferńandez-Rossier J and Brey L 2008 Phys. Rev. B 77 195428.
28. Wu M, Cao C and Jiang J Z 2010 New J. Phys. 12 063020.
29. Nanda B R K and Satpathy S 2009 Phys. Rev. B 80 164530.
30. Blaha P et al 2001 WIEN2k: An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (Austria: Karlheinz Schwarz, Techn. Universitat Wien
31. Perdew J P, Burke S and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865.
32. Grosso G and Parravicini P 2000 Solid State Physics (London: Academic
33. Thrower P A and Mayer R M 1978 Phys. Status Solidi a 47 11.
34. Lieb E H 1989 Phys. Rev. Lett. 62 1201.
35. Popovic Z S, Nanda B R K and Satpathy S 2012 (in preparation
36. Pereira V M, Guinea F, Lopes dos Santos J M B, Peres N M R and Castro Neto A H 2006 Phys. Rev. Lett. 96 036801.
37. Sherafati M and Satpathy S 2011 Phys. Rev. B 83 165425.
38. Sherafati M and Satpathy S 2011 Phys. Rev. B 84 125416.
39. Horiguchi T 1972 J. Math. Phys. 13 1411.
40. Berciu M 2009 J. Phys. A: Math. Theor. 42 395207.
41. Gradshteyn I S and Ryzhik I M 1980 Tables of Integrals, Series, and Products (New York: Academic) section 8.446.
42. Sherafati M and Satpathy S 2011 Phys. Status Solidi b 248 2056.
43. Saremi S 2007 Phys. Rev. B 76 184430.
44. Chang Y C and Haas S 2011 Phys. Rev. B 83 085406