Enhanced spin-orbit coupling in hydrogenated and fluorinated graphene

Carbon

Volumn 48, Issue 5, 2010, Pages 1405-1409

  Zhou, Jian ^a   Liang, Qifeng ^b   Dong, Jinming ^a  

^a NANJING UNIVERSITY   (China)

^b SHAOXING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON ATOMS; DIFFERENT MECHANISMS; FERMI ENERGY; FIRST PRINCIPLES METHOD; FLUORINE ATOMS; GRAPHENES; SPIN-ORBIT COUPLINGS; SPLITTINGS;

FLUORINE; GRAPHENE; GRAPHITE; HYDROGENATION; PROGRAMMABLE LOGIC CONTROLLERS; SPIN DYNAMICS;

ATOMS;

EID: 75749112822     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2009.12.031     Document Type: Article

References (39)

1. Karu A.E., and Beer M. Pyrolytic formation of highly crystalline graphite films. J Appl Phys 37 5 (1966) 2179-2181
2. Oshima C., Bannai E., Tanaka T., and Kawai S. Carbon layer on lanthanum hexaboride (1 0 0) surface. Jpn J Appl Phys 16 6 (1977) 965-969
3. Aizawa T., Souda R., Otani S., Ishizawa Y., and Oshima C. Bond softening in monolayer graphite formed on transition-metal carbide surfaces. Phys Rev B 42 18 (1990) 11469-11478
4. Aizawa T., Souda R., Otani S., Ishizawa Y., and Oshima C. Anomalous bond of monolayer graphite on transition-metal carbide surfaces. Phys Rev Lett 64 7 (1990) 768-771
5. Aizawa T., Hwang Y., Hayami W., Souda R., Otani S., and Ishizawa Y. Phonon dispersion of monolayer graphite on Pt(1 1 1) and NbC surfaces: bond softening and interface structures. Surf Sci 260 1-3 (1992) 311-318
6. Rut'kov E.V., and Tontegode A.Y. A study of the carbon adlayer on Iridium. Surf Sci 161 2-3 (1985) 373-389
7. Land T.A., Michely T., Behm R.J., Hemminger J.C., and Comsa G. STM investigation of single layer graphite structures produced on Pt(1 1 1) by hydrocarbon decomposition. Surf Sci 264 3 (1992) 261-270
8. Oshima C., and Nagashima A. Ultra-thin epitaxial films of graphite and hexagonal boron nitride on solid surfaces. J Phys Condens Matter 9 1 (1997) 1-20
9. Novoselov K.S., Geim A.K., Morozov S.V., Jiang D., Zhang Y., Dubonos S.Y., et al. Electric field effect in atomically thin carbon films. Science 306 5696 (2004) 666-669
10. Castro Neto A.H., Guinea F., Peres N.M.R., Novoselov K.S., and Geim A.K. The electronic properties of graphene. Rev Mod Phys 81 1 (2009) 109-162
11. Geim A.K., and Novoselov K.S. The rise of graphene. Nat Mater 6 3 (2007) 183-191
12. Zhang Y.B., Tan Y.W., Stormer H.L., and Kim P. Experimental observation of the quantum Hall effect and Berry's phase in graphene. Nature 438 7065 (2005) 201-204
13. Tombros N., Jozsa C., Popinciuc M., Jonkman H.T., and Wees B.J. Electronic spin transport and spin precession in single graphene layers at room temperature. Nature 448 7153 (2007) 571-574
14. Trauzettel B., Bulaev D.V., Loss D., and Burkard G. Spin qubits in graphene quantum dots. Nat Phys 3 3 (2007) 192-196
15. Huertas-Hernando D., Guinea F., and Brataas A. Spin-orbit coupling in curved graphene, fullerenes, nanotubes, and nanotube caps. Phys Rev B 74 15 (2006) 155426-1-155426-15
16. Min H., Hill J.E., Sinitsyn N.A., Sahu B.R., Kleinman L., and MacDonald A.H. Intrinsic and Rashba spin-orbit interactions in graphene sheets. Phys Rev B 74 16 (2006) 165310-1-165310-5
17. Yao Y.G., Ye F., Qi X.L., Zhang S.C., and Fang Z. Spin-orbit gap of graphene: first-principles calculations. Phys Rev B 75 4 (2007) 041401-1-041401-4
18. Boettger J.C., and Trickey S.B. First-principles calculation of the spin-orbit splitting in graphene. Phys Rev B 75 12 (2007) 121402-1-121402-4
19. Guo G.Y., Yao Y.G., and Niu Q. Ab initio calculation of the intrinsic spin Hall effect in semiconductors. Phys Rev Lett 94 22 (2005) 226601-1-226601-4
20. Yao Y., and Fang Z. Sign changes of intrinsic spin Hall effect in semiconductors and simple metals: first-principles calculations. Phys Rev Lett 95 15 (2005) 156601-1-156601-4
21. Kuemmeth F., IIani S., Ralph D.C., and McEuen P.L. Coupling of spin and orbital motion of electrons in carbon nanotubes. Nature 452 7186 (2008) 448-452
22. Zhou J., Liang Q.F., and Dong J.M. Asymmetric spin-orbit coupling in single-walled carbon nanotubes. Phys Rev B 79 19 (2009) 195427-1-195427-5
23. Castro Neto A.H., and Guinea F. Impurity-induced spin-orbit coupling in graphene. Phys Rev Lett 103 2 (2009) 026804-1-026804-4
24. Sofo J.O., Chaudhari A.S., and Barber G.D. Graphane: a two-dimensional hydrocarbon. Phys Rev B 75 15 (2007) 153401-1-153401-4
25. Roman T., Diño W.A., Nakanishi H., Kasai H., Sugimoto T., and Tange K. Realizing a carbon-based hydrogen storage material. Jpn J Appl Phys 45 3A (2006) 1765-1767
26. Elias D.C., Nair R.R., Mohiuddin T.M.G., Morozov S.V., Blake P., Halsall M.P., et al. Control of graphene's properties by reversible hydrogenation: evidence for graphane. Science 323 5914 (2009) 610-613
27. Ruff O., Bretschneider O., and Ebert F. The reaction products of various forms of carbon with fluorine. II. Carbon monofluoride. Z Anorg Allgem Chem 217 (1934) 1-19
28. Fujimoto H. Structure analysis of graphite fluoride by the rietveld method. Carbon 35 8 (1997) 1061-1065
29. n. Phys Rev B 47 24 (1993) 16162-16168
30. Kurmaev E.Z., Moewes A., Ederer D.L., Ishii H., Seki K., Yanagihara M., et al. Electronic structure of graphite fluorides. Phys Lett A 288 5-6 (2001) 340-344
31. Takagi Y., and Kusakabe K. Transition from direct band gap to indirect band gap in fluorinated carbon. Phys Rev B 65 12 (2002) 121103-1-121103-4
32. Kresse G., and Hafner J. Ab initio molecular dynamics for open-shell transition metals. Phys Rev B 48 17 (1993) 13115-13118
33. Kresse G., and Furthmüller J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci 6 1 (1996) 15-50
34. Blöchl P.E. Projector augmented-wave method. Phys Rev B 50 24 (1994) 17953-17979
35. Kresse G., and Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B 59 3 (1999) 1758-1775
36. Theurich G., and Hill N.A. Self-consistent treatment of spin-orbit coupling in solids using relativistic fully separable ab initio pseudopotentials. Phys Rev B 64 7 (2001) 073106-1-073106-4
37. Corso A.D., and Conte A.M. Spin-orbit coupling with ultrasoft pseudopotentials: application to Au and Pt. Phys Rev B 71 11 (2005) 115106-1-115106-8
38. Lebègue S., Klintenberg M., Eriksson O., and Katsnelson M.I. Accurate electronic band gap of pure and functionalized graphane from GW calculations. Phys Rev B 79 24 (2009) 245117-1-245117-5
39. Veseth L. Refined many-body calculations of atomic fine structure. J Phys B At Mol Opt Phys 21 10 (1988) 1719-1738