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Volumn 80, Issue 23, 2009, Pages

Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles

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EID: 77954752424     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.235407     Document Type: Article
Times cited : (459)

References (83)
  • 4
    • 47149108763 scopus 로고    scopus 로고
    • 10.1088/1367-2630/10/6/063020
    • A. Stroppa and G. Kresse, New J. Phys. 10, 063020 (2008). 10.1088/1367-2630/10/6/063020
    • (2008) New J. Phys. , vol.10 , pp. 063020
    • Stroppa, A.1    Kresse, G.2
  • 6
    • 0000680006 scopus 로고
    • 10.1016/0039-6028(77)90442-3
    • W. R. Tyson and W. A. Miller, Surf. Sci. 62, 267 (1977). 10.1016/0039-6028(77)90442-3
    • (1977) Surf. Sci. , vol.62 , pp. 267
    • Tyson, W.R.1    Miller, W.A.2
  • 7
    • 34548830416 scopus 로고    scopus 로고
    • Nano-faceting of fcc(1 1 0) surfaces controlled by adsorbates and atom deposition or removal
    • DOI 10.1016/j.susc.2007.07.017, PII S0039602807007893
    • R. Stumpf, Surf. Sci. 601, L115 (2007). 10.1016/j.susc.2007.07.017 (Pubitemid 47451462)
    • (2007) Surface Science , vol.601 , Issue.19
    • Stumpf, R.1
  • 8
    • 0000292607 scopus 로고
    • 10.1103/PhysRevB.49.16798
    • J. C. Boettger, Phys. Rev. B 49, 16798 (1994). 10.1103/PhysRevB.49.16798
    • (1994) Phys. Rev. B , vol.49 , pp. 16798
    • Boettger, J.C.1
  • 10
    • 31644435199 scopus 로고    scopus 로고
    • Converged properties of clean metal surfaces by all-electron first-principles calculations
    • DOI 10.1016/j.susc.2005.12.008, PII S0039602805013154
    • J. L. F. Da Silva, C. Stampfl, and M. Scheffler, Surf. Sci. 600, 703 (2006). 10.1016/j.susc.2005.12.008 (Pubitemid 43171938)
    • (2006) Surface Science , vol.600 , Issue.3 , pp. 703-715
    • Da Silva, J.L.F.1    Stampfl, C.2    Scheffler, M.3
  • 11
    • 24844469003 scopus 로고
    • 10.1103/PhysRevB.3.1215
    • N. D. Lang and W. Kohn, Phys. Rev. B 3, 1215 (1971). 10.1103/PhysRevB.3. 1215
    • (1971) Phys. Rev. B , vol.3 , pp. 1215
    • Lang, N.D.1    Kohn, W.2
  • 13
    • 0000611267 scopus 로고
    • 10.1103/PhysRevB.33.4294
    • S. Ciraci and I. P. Batra, Phys. Rev. B 33, 4294 (1986). 10.1103/PhysRevB.33.4294
    • (1986) Phys. Rev. B , vol.33 , pp. 4294
    • Ciraci, S.1    Batra, I.P.2
  • 14
    • 0012651257 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.66.233408
    • C. M. Wei and M. Y. Chou, Phys. Rev. B 66, 233408 (2002). 10.1103/PhysRevB.66.233408
    • (2002) Phys. Rev. B , vol.66 , pp. 233408
    • Wei, C.M.1    Chou, M.Y.2
  • 16
    • 0032136099 scopus 로고    scopus 로고
    • 10.1016/S0039-6028(98)00363-X
    • L. Vitos, A. Ruban, and H. Skriver, Surf. Sci. 411, 186 (1998). 10.1016/S0039-6028(98)00363-X
    • (1998) Surf. Sci. , vol.411 , pp. 186
    • Vitos, L.1    Ruban, A.2    Skriver, H.3
  • 18
    • 70349568754 scopus 로고    scopus 로고
    • 10.1088/0953-8984/21/39/395502
    • P. Giannozzi, J. Phys.: Condens. Matter 21, 395502 (2009). 10.1088/0953-8984/21/39/395502
    • (2009) J. Phys.: Condens. Matter , vol.21 , pp. 395502
    • Giannozzi, P.1
  • 20
  • 23
    • 77954700555 scopus 로고    scopus 로고
    • We used the pseudopotentials Al.pbe-rrkj.UPF, Pd.pbe-nd-rrkjus.UPF, Pt.pbe-rrkjus.UPF, and Au.pbe-d-rrkjus.UPF from the
    • We used the pseudopotentials Al.pbe-rrkj.UPF, Pd.pbe-nd-rrkjus.UPF, Pt.pbe-rrkjus.UPF, and Au.pbe-d-rrkjus.UPF from the http://www.quantum-espresso. org distribution.
  • 24
    • 20544463457 scopus 로고
    • 10.1103/PhysRevB.41.7892
    • D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 27
    • 0000084970 scopus 로고
    • 10.1103/PhysRev.118.1545
    • J. A. Rayne, Phys. Rev. 118, 1545 (1960). 10.1103/PhysRev.118.1545
    • (1960) Phys. Rev. , vol.118 , pp. 1545
    • Rayne, J.A.1
  • 29
  • 30
    • 33750422155 scopus 로고
    • 10.1103/PhysRev.135.A482
    • E. S. Fisher and C. J. Renken, Phys. Rev. 135, A482 (1964). 10.1103/PhysRev.135.A482
    • (1964) Phys. Rev. , vol.135 , pp. 482
    • Fisher, E.S.1    Renken, C.J.2
  • 31
    • 33344462447 scopus 로고    scopus 로고
    • Comment on "magnetism in atomic-size palladium contacts and nanowires"
    • DOI 10.1103/PhysRevLett.96.079701, 079701
    • S. S. Alexandre, M. Mattesini, J. M. Soler, and F. Yndurain, Phys. Rev. Lett. 96, 079701 (2006). 10.1103/PhysRevLett.96.079701 (Pubitemid 43290787)
    • (2006) Physical Review Letters , vol.96 , Issue.7 , pp. 1
    • Alexandre, S.S.1    Mattesini, M.2    Soler, J.M.3    Yndurain, F.4
  • 32
    • 34248585232 scopus 로고    scopus 로고
    • Magnetism in coaxial palladium nanowires
    • DOI 10.1063/1.2672303
    • D. A. Stewart, J. Appl. Phys. 101, 09D503 (2007). 10.1063/1.2672303 (Pubitemid 46753212)
    • (2007) Journal of Applied Physics , vol.101 , Issue.9
    • Stewart, D.A.1
  • 38
    • 0000238026 scopus 로고
    • 10.1103/PhysRevB.29.4349
    • J. R. Noonan and H. L. Davis, Phys. Rev. B 29, 4349 (1984). 10.1103/PhysRevB.29.4349
    • (1984) Phys. Rev. B , vol.29 , pp. 4349
    • Noonan, J.R.1    Davis, H.L.2
  • 39
  • 50
  • 52
    • 0001563429 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.56.R15569
    • B. D. Yu and M. Scheffler, Phys. Rev. B 56, R15569 (1997). 10.1103/PhysRevB.56.R15569
    • (1997) Phys. Rev. B , vol.56 , pp. 15569
    • Yu, B.D.1    Scheffler, M.2
  • 54
    • 0002703962 scopus 로고
    • 10.1016/0013-4686(94)00246-W
    • K. Bohnen and K. Ho, Electrochim. Acta 40, 129 (1995). 10.1016/0013-4686(94)00246-W
    • (1995) Electrochim. Acta , vol.40 , pp. 129
    • Bohnen, K.1    Ho, K.2
  • 55
    • 33846371434 scopus 로고
    • 10.1016/0039-6028(85)90840-4
    • W. Moritz and D. Wolf, Surf. Sci. 163, L655 (1985). 10.1016/0039-6028(85) 90840-4
    • (1985) Surf. Sci. , vol.163 , pp. 655
    • Moritz, W.1    Wolf, D.2
  • 57
    • 16644395072 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.61.13929
    • G. Teeter and J. L. Erskine, Phys. Rev. B 61, 13929 (2000). 10.1103/PhysRevB.61.13929
    • (2000) Phys. Rev. B , vol.61 , pp. 13929
    • Teeter, G.1    Erskine, J.L.2
  • 60
    • 4243770410 scopus 로고
    • 10.1103/PhysRevLett.55.2168
    • G. L. Kellogg, Phys. Rev. Lett. 55, 2168 (1985). 10.1103/PhysRevLett.55. 2168
    • (1985) Phys. Rev. Lett. , vol.55 , pp. 2168
    • Kellogg, G.L.1
  • 65
    • 1042265103 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.68.245416
    • A. Y. Lozovoi and A. Alavi, Phys. Rev. B 68, 245416 (2003). 10.1103/PhysRevB.68.245416
    • (2003) Phys. Rev. B , vol.68 , pp. 245416
    • Lozovoi, A.Y.1    Alavi, A.2
  • 66
    • 0035934276 scopus 로고    scopus 로고
    • An energy functional for surfaces
    • DOI 10.1063/1.1396649
    • A. E. Mattsson and W. Kohn, J. Chem. Phys. 115, 3441 (2001). 10.1063/1.1396649 (Pubitemid 32795656)
    • (2001) Journal of Chemical Physics , vol.115 , Issue.8 , pp. 3441-3443
    • Mattsson, A.E.1    Kohn, W.2
  • 71
    • 44449116684 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.77.195445
    • M. Ropo, K. Kokko, and L. Vitos, Phys. Rev. B 77, 195445 (2008). 10.1103/PhysRevB.77.195445
    • (2008) Phys. Rev. B , vol.77 , pp. 195445
    • Ropo, M.1    Kokko, K.2    Vitos, L.3
  • 76
    • 0019077990 scopus 로고
    • UV-Photoelectron spectroscopy from xenon adsorbed on heteroeneous metal surfaces
    • DOI 10.1016/0378-5963(80)90028-8
    • J. Hulse, J. Küppers, K. Wandelt, and G. Ertl, Appl. Surf. Sci. 6, 453 (1980). 10.1016/0378-5963(80)90028-8 (Pubitemid 12428173)
    • (1980) Applications of surface science , vol.6 , Issue.3-4 , pp. 453-463
    • Hulse, J.1    Kueppers, J.2    Wandelt, K.3    Ertl, G.4
  • 79
    • 0003240052 scopus 로고
    • 10.1103/PhysRevB.39.1940
    • G. N. Derry and Ji-Zhong Zhang, Phys. Rev. B 39, 1940 (1989). 10.1103/PhysRevB.39.1940
    • (1989) Phys. Rev. B , vol.39 , pp. 1940
    • Derry, G.N.1    Zhang, J.2
  • 80
    • 0026839710 scopus 로고
    • 10.1016/0039-6028(92)90154-X
    • R. Vanselow and X. Li, Surf. Sci. 264, L200 (1992). 10.1016/0039-6028(92) 90154-X
    • (1992) Surf. Sci. , vol.264 , pp. 200
    • Vanselow, R.1    Li, X.2
  • 83
    • 0014812249 scopus 로고
    • 10.1103/PhysRevB.2.1
    • D. E. Eastman, Phys. Rev. B 2, 1 (1970). 10.1103/PhysRevB.2.1
    • (1970) Phys. Rev. B , vol.2 , pp. 1
    • Eastman, D.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.