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Geometric and electronic structures of a two-dimensional covalent network of sp2 and sp3 carbon atoms

Diamond and related materials, v.81, 2018년, pp.103 - 107  

Maruyama, Mina (Corresponding author.) ,  Okada, Susumu

Abstract AI-Helper 아이콘AI-Helper

Abstract Based on first-principles total-energy calculations, we investigated the geometric, electronic, and spin structures of two-dimensional honeycomb networks of polymerized C40. Our calculations showed that the polymerized C40 possesses two polymeric structures that are statically and dynamica...

참고문헌 (42)

  1. Nature Kroto 318 162 1985 10.1038/318162a0 C60: Buckminsterfullerene 

  2. Dresselhaus 1996 Science of Fullerenes and Carbon Nanotubes 

  3. Fowler 1995 An Atlas of Fullerenes 

  4. J. Chem. Phys. Manolopoulos 96 7603 1992 10.1063/1.462413 Molecular graphs, point groups, and fullerenes 

  5. Nature Kikuchi 357 142 1992 10.1038/357142a0 NMR characterization of isomers of C78, C82 and C84 fullerenes 

  6. Chem. Phys. Lett. Okada 252 94 1996 10.1016/S0009-2614(96)00151-0 Number of extractable fullerene isomers and speciality of C84 

  7. J. Chem. Phys. Rohlfing 81 3322 1984 10.1063/1.447994 Production and characterization of supersonic carbon cluster 

  8. Nature Kratchmer 347 354 1990 10.1038/347354a0 Solid C60: a new form of carbon 

  9. Phys. Rev Lett. Saito 66 2637 1991 10.1103/PhysRevLett.66.2637 Cohesive mechanism and energy bands of solid C60 

  10. Science Iwasa 264 1570 1995 10.1126/science.264.5165.1570 New phase of C60 synthesized at high pressure 

  11. Phys. Rev. Lett. Nunez Regueiro 74 278 1995 10.1103/PhysRevLett.74.278 Polymerized fullerite structures 

  12. Solid State Commun. Oszlanyi 93 265 1995 10.1016/0038-1098(94)00739-X Two-dimensional polymer of C60 

  13. Phys. Rev. Lett. Xu 74 274 1995 10.1103/PhysRevLett.74.274 Theoretical predictions for a two-dimensional rhombohedral phase of solid C60 

  14. Phys. Rev B Okada 59 1930 1999 10.1103/PhysRevB.59.1930 Electronic structure and energetics of pressure-induced two-dimensional C60 polymers 

  15. Phys. Rev. Lett. Okada 83 1986 1999 10.1103/PhysRevLett.83.1986 New metallic crystalline carbon: three dimensionally polymerized C60 fullerite 

  16. Science Rao 259 955 1993 10.1126/science.259.5097.955 Photoinduced polymerization of solid C60 films 

  17. Phys. Rev. Lett. Chauvet 72 2721 1994 10.1103/PhysRevLett.72.2721 Quasi-one-dimensional electronic structure in orthorhombic RbC60 

  18. Nature Prinzbach 407 60 2000 10.1038/35024037 G.-p. production photoelectron spectroscopy of the smallest fullerene C20 

  19. J. Am. Chem. Soc. Dunk 134 9380 2012 10.1021/ja302398h The smallest stable fullerene, M@C28 (M=Ti, Zr, U): stabilization and growth from carbon vapor 

  20. Physica B Mudryk 328 44 2003 10.1016/S0921-4526(02)01806-9 Crystal chemistry and thermoelectric properties of clathrates with rare-earth substitution 

  21. J. Solid State Chem. Bobev 153 92 2000 10.1006/jssc.2000.8755 Clathrates of group 14 with alkali metals: an exploration 

  22. J. Mater. Chem. Beekman 18 842 2008 10.1039/B706808E Inorganic clathrate-II materials of group 14: synthetic routes and physical properties 

  23. Int. J. High Pressure Res. San-Miguel 25 159 2005 10.1080/08957950500319464 High-pressure properties of group IV clathrates 

  24. Phys. Rev. B Saito 51 2628 1995 10.1103/PhysRevB.51.2628 Electronic structure of Si46 and Na2Ba6Si46 

  25. Phys. Rev. B Okada 64 245405 2001 10.1103/PhysRevB.64.245405 Three-dimensional crystalline carbon: stable polymers of C20 fullerene 

  26. Phys. Rev. B Grossman 60 R6941 1999 10.1103/PhysRevB.60.R6941 Solid C36: crystal structures, formation, and effects of doping 

  27. J. Phys. Soc. Jpn. Maruyama 82 043708 2013 10.7566/JPSJ.82.043708 Two-dimensional metallic molecular sheet of fused C26 fullerene 

  28. Status Solidi C Maruyama 10 1620 2013 10.1002/pssc.201300237 Design of new carbon allotropes of fused small fullerenes, Phys 

  29. Jpn. J. Appl. Phys. Maruyama 54 06FF02 2015 10.7567/JJAP.54.06FF02 A two-dimensional sp2 carbon network of fused pentagons: all carbon ferromagnetic sheet 

  30. J. Phys. Soc. Jpn. Maruyama 84 084706 2015 10.7566/JPSJ.84.084706 Geometric and electronic structures of two-dimensional networks if fused C36 fullerenes 

  31. J. Phys. Soc. Jpn. Maruyama 81 114719 2012 10.1143/JPSJ.81.114719 Elemental semiconductors of fused small fullerenes: electronic and geometric structures of C28 polymers 

  32. Chem. Commun. de Meijere 2189 1999 10.1039/a906972k The radical anion of acepentalene 

  33. Jpn. J. Appl. Phys. Maruyama 53 06JD02 2014 10.7567/JJAP.53.06JD02 Two-dimensional sp2 carbon networks of fused pentagons 

  34. Appl. Phys. Express Maruyama 6 095101 2013 10.7567/APEX.6.095101 A two-dimensional sp2 carbon network of fused pentagons: all carbon ferromagnetic sheet 

  35. Phys. Rev. Hohenberg 136 B864 1964 10.1103/PhysRev.136.B864 Inhomogeneous electron gas 

  36. Phys. Rev. Kohn 140 A1133 1965 10.1103/PhysRev.140.A1133 Self-consistent equations including exchange and correlation effects 

  37. Appl. Surf. Sci. Morikawa 169-170 11 2001 10.1016/S0169-4332(00)00631-0 Theoretical study of hydrogenation process of formate on clean and Zn deposited Cu(111) surfaces 

  38. Phys. Rev. Lett. Perdew 77 3865 1996 10.1103/PhysRevLett.77.3865 Generalized gradient approximation made simple 

  39. Phys. Rev. B Vanderbilt 41 7892 1990 10.1103/PhysRevB.41.7892 Soft self-consistent pseudopotentials in a generalized eigenvalue formalism 

  40. Phys. Rev. Lett. Cuong 106 106801 2011 10.1103/PhysRevLett.106.106801 Semiconducting electronic property of graphene adsorbed on (0001) surfaces of SiO2 

  41. The total energy under 2× 2 ×1 k-mesh is lower by 5meV/atom than that under 8× 8 ×1 k-mesh, so that the choice of k-mesh is sufficient to describe the relative stability of the C40 polymers. 

  42. Phys. Rev. B Otani 73 115407 2006 10.1103/PhysRevB.73.115407 First-principles calculations of charged surfaces and interfaces: a plane-wave nonrepeated slab approach 

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