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Volumn 377-379, Issue , 1997, Pages 112-116

Reconstructions of Ir(110) and (100): An ab initio study

Author keywords

Density functional calculations; Faceting; Iridium; Low index single crystal surfaces; Rhodium; Surface relaxation and reconstruction; Surface stress

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL ORIENTATION; RELAXATION PROCESSES; RHODIUM; SINGLE CRYSTALS; STRESSES; SURFACE PHENOMENA;

EID: 4244219296     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(96)01374-X     Document Type: Article
Times cited : (47)

References (19)
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    • A. Filippetti, V. Fiorentini, K. Stokbro, R. Valente and S. Baroni, in: Materials Theory, Simulations, and Parallel Algorithms, Eds. E. Kaxiras and J.D. Johannopoulos, MRS Proceedings 408 (1996) 457.
    • (1996) MRS Proceedings , vol.408 , pp. 457
    • Filippetti, A.1    Fiorentini, V.2    Stokbro, K.3    Valente, R.4    Baroni, S.5
  • 7
    • 0003398526 scopus 로고
    • Springer, Berlin
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    • (1990) Density Functional Theory
    • Dreizler, R.1    Gross, E.K.U.2
  • 8
    • 33744691386 scopus 로고
    • R. Dreizler and E.K.U. Gross, Density Functional Theory (Springer, Berlin, 1990); The exchange-correlation energy by D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45 (1980) 566, is used in the parametrization of J.P. Perdew and A. Zunger, Phys. Rev. B 23 (1981) 5048.
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 566
    • Ceperley, D.M.1    Alder, B.J.2
  • 9
    • 26144450583 scopus 로고
    • R. Dreizler and E.K.U. Gross, Density Functional Theory (Springer, Berlin, 1990); The exchange-correlation energy by D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45 (1980) 566, is used in the parametrization of J.P. Perdew and A. Zunger, Phys. Rev. B 23 (1981) 5048.
    • (1981) Phys. Rev. B , vol.23 , pp. 5048
    • Perdew, J.P.1    Zunger, A.2
  • 11
  • 12
    • 0001666938 scopus 로고
    • M. Methfessel and A.P. Paxton, Phys. Rev. B 40 (1989) 3616; see also S. de Gironcoli, Phys. Rev. B 51 (1995) 6773.
    • (1995) Phys. Rev. B , vol.51 , pp. 6773
    • De Gironcoli, S.1
  • 15


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.