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Volumn 74, Issue 4, 2010, Pages 555-564

Structural and electronic properties of carbon adsorbed on Fe(100)

Author keywords

[No Author keywords available]

Indexed keywords

C ATOMS; CARBON ATOMS; DENSITY OF STATE; FE ATOMS; GENERAL GRADIENT APPROXIMATION; HOLLOW SITES; INTERLAYER SPACINGS; ORBITALS; SUBSTRATE LAYERS; SURFACE LAYERS;

EID: 77952951498     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2010-00111-9     Document Type: Article
Times cited : (9)

References (32)
  • 6
    • 0037457512 scopus 로고    scopus 로고
    • 10.1016/S0039-6028(03)00352-2 2003SurSc.530.88C
    • W.C. Chiou E.A. Carter 2003 Surf. Sci. 530 87 10.1016/S0039-6028(03) 00352-2 2003SurSc.530...88C
    • (2003) Surf. Sci. , vol.530 , pp. 87
    • Chiou, W.C.1    Carter, E.A.2
  • 7
    • 0012719635 scopus 로고    scopus 로고
    • 10.1063/1.472901 1996JChPh.10511020N
    • B.K. Nash B.K. Rao P. Jena 1996 J. Chem. Phys. 105 11020 10.1063/1.472901 1996JChPh.10511020N
    • (1996) J. Chem. Phys. , vol.105 , pp. 11020
    • Nash, B.K.1    Rao, B.K.2    Jena, P.3
  • 8
    • 34447302048 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.76.035412 2007PhRvB.76c5412M
    • Q.M. Ma Z. Xie J. Wang Y. Liu Y.C. Li 2007 Phys. Rev. B 76 035412 10.1103/PhysRevB.76.035412 2007PhRvB..76c5412M
    • (2007) Phys. Rev. B , vol.76 , pp. 035412
    • Ma, Q.M.1    Xie, Z.2    Wang, J.3    Liu, Y.4    Li, Y.C.5
  • 9
    • 2542627141 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.67.214103 2003PhRvB.67u4103J
    • D.E. Jiang E.A. Carter 2003 Phys. Rev. B 67 214103 10.1103/PhysRevB.67. 214103 2003PhRvB..67u4103J
    • (2003) Phys. Rev. B , vol.67 , pp. 214103
    • Jiang, D.E.1    Carter, E.A.2
  • 10
    • 29844432573 scopus 로고    scopus 로고
    • A modified embedded-atom method interatomic potential for the Fe-C system
    • DOI 10.1016/j.actamat.2005.09.034, PII S135964540500594X
    • B.J. Lee 2006 Acta. Mater. 54 701 10.1016/j.actamat.2005.09.034 (Pubitemid 43038764)
    • (2006) Acta Materialia , vol.54 , Issue.3 , pp. 701-711
    • Lee, B.-J.1
  • 11
    • 37649032302 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.69.144112 2004PhRvB.69n4112D
    • C. Domain C.S. Becquart J. Foct 2004 Phys. Rev. B 69 144112 10.1103/PhysRevB.69.144112 2004PhRvB..69n4112D
    • (2004) Phys. Rev. B , vol.69 , pp. 144112
    • Domain, C.1    Becquart, C.S.2    Foct, J.3
  • 12
    • 0035858560 scopus 로고    scopus 로고
    • The electronic effect in the 100 edge dislocation core system with a carbon atom in α-iron: A first-principles study
    • DOI 10.1088/0953-8984/13/19/307, PII S0953898401206122
    • Y. Niu S.Y. Wang D.L. Zhao C.Y. Wang 2001 J. Phys.: Condens. Matter 13 4267 10.1088/0953-8984/13/19/307 2001JPCM...13.4267N (Pubitemid 32471751)
    • (2001) Journal of Physics Condensed Matter , vol.13 , Issue.19 , pp. 4267-4276
    • Niu, Y.1    Wang, S.-Y.2    Zhao, D.-L.3    Wang, C.-Y.4
  • 19
    • 33645889000 scopus 로고    scopus 로고
    • First-principles calculations of the adsorption and hydrogenation reactions of CHx (x=0,4) species on a Fe(100) surface
    • DOI 10.1103/PhysRevB.73.155420, 155420
    • D.C. Sorescu 2006 Phys. Rev. B 73 155420 10.1103/PhysRevB.73.155420 2006PhRvB..73o5420S (Pubitemid 43580082)
    • (2006) Physical Review B - Condensed Matter and Materials Physics , vol.73 , Issue.15 , pp. 1-17
    • Sorescu, D.C.1
  • 21
    • 35949007146 scopus 로고
    • 10.1103/PhysRevB.48.13115 1993PhRvB.4813115K
    • G. Kresse J. Hafner 1993 Phys. Rev. B 48 13115 10.1103/PhysRevB.48.13115 1993PhRvB..4813115K
    • (1993) Phys. Rev. B , vol.48 , pp. 13115
    • Kresse, G.1    Hafner, J.2
  • 22
    • 2442537377 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.54.11169 1996PhRvB.5411169K
    • G. Kresse J. Furthmüller 1996 Phys. Rev. B 54 11169 10.1103/PhysRevB.54.11169 1996PhRvB..5411169K
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 23
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
    • G. Kresse J. Furthmüller 1996 Comput. Mater. Sci. 6 15 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
    • (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 25
    • 25744460922 scopus 로고
    • 10.1103/PhysRevB.50.17953 1994PhRvB.5017953B
    • P.E. Blöchl 1994 Phys. Rev. B 50 17953 10.1103/PhysRevB.50.17953 1994PhRvB..5017953B
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 26
    • 0011236321 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.59.1758 1999PhRvB.59.1758K
    • G. Kresse D. Joubert 1999 Phys. Rev. B 59 1758 10.1103/PhysRevB.59.1758 1999PhRvB..59.1758K
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 27
    • 33845651378 scopus 로고    scopus 로고
    • Structural, electronic, and magnetic properties of bcc iron surfaces
    • DOI 10.1016/j.susc.2006.09.013, PII S0039602806009563
    • P. Błönski A. Kiejna 2007 Surf. Sci. 601 123 10.1016/j.susc.2006.09.013 2007SurSc.601..123B (Pubitemid 44958873)
    • (2007) Surface Science , vol.601 , Issue.1 , pp. 123-133
    • Blonski, P.1    Kiejna, A.2
  • 28
    • 0036645364 scopus 로고    scopus 로고
    • Density functional theory study of the relaxation and energy of iron surfaces
    • DOI 10.1016/S0039-6028(02)01809-5, PII S0039602802018095
    • M.J.S. Spencer A. Hung I.K. Snook I. Yarovsky 2002 Surf. Sci. 513 389 10.1016/S0039-6028(02)01809-5 2002SurSc.513..389S (Pubitemid 34732315)
    • (2002) Surface Science , vol.513 , Issue.2 , pp. 389-398
    • Spencer, M.J.S.1    Hung, A.2    Snook, I.K.3    Yarovsky, I.4
  • 29
    • 23644453441 scopus 로고    scopus 로고
    • Theoretical study of oxygen adsorption at the Fe(1 1 0) and (1 0 0) surfaces
    • DOI 10.1016/j.susc.2005.06.011, PII S0039602805006539
    • P. Błönski A. Kiejna J. Hafner 2005 Surf. Sci. 590 88 10.1016/j.susc.2005.06.011 2005SurSc.590...88B (Pubitemid 41114491)
    • (2005) Surface Science , vol.590 , Issue.1 , pp. 88-100
    • Blonski, P.1    Kiejna, A.2    Hafner, J.3
  • 30
    • 23444459551 scopus 로고    scopus 로고
    • Effect of S contamination on properties of Fe(1 0 0) surfaces
    • DOI 10.1016/j.susc.2005.06.014, PII S0039602805006485
    • S.G. Nelson M.J.S. Spencer I.K. Snook I. Yarovsky 2005 Surf. Sci. 590 63 10.1016/j.susc.2005.06.014 2005SurSc.590...63N (Pubitemid 41108309)
    • (2005) Surface Science , vol.590 , Issue.1 , pp. 63-75
    • Nelson, S.G.1    Spencer, M.J.S.2    Snook, I.K.3    Yarovsky, I.4
  • 31
    • 0023309840 scopus 로고
    • Epitaxial growth of body-centered-cubic nickel on iron
    • DOI 10.1016/0038-1098(87)90374-7
    • Z.Q. Wang Y.S. Li F. Jona P.M. Marcus 1987 Solid State Communn. 61 623 10.1016/0038-1098(87)90374-7 1987SSCom..61..623W (Pubitemid 18581036)
    • (1987) Solid State Communications , vol.61 , Issue.10 , pp. 623-626
    • Wang, Z.Q.1    Li, Y.S.2    Jona, F.3    Marcus, P.M.4
  • 32
    • 0008411735 scopus 로고
    • 10.1103/PhysRevB.35.2995 1987PhRvB.35.2995F
    • G.W. Fernando J.W. Wilkins 1987 Phys. Rev. B 35 2995 10.1103/PhysRevB.35. 2995 1987PhRvB..35.2995F
    • (1987) Phys. Rev. B , vol.35 , pp. 2995
    • Fernando, G.W.1    Wilkins, J.W.2


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