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Volumn 15, Issue 2, 1999, Pages 119-143

Calculated surface segregation in transition metal alloys

Author keywords

Concentration profiles; Connolly Williams method; Generalized perturbation Method; LMTO GF CPA method; Rh Pt alloys; Surface segregation energies; Transition metal alloys

Indexed keywords


EID: 0001326910     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(99)00003-8     Document Type: Article
Times cited : (241)

References (137)
  • 29
    • 0346891866 scopus 로고    scopus 로고
    • private communication
    • L. Vitos, private communication.
    • Vitos, L.1
  • 67
    • 0346261560 scopus 로고
    • Ph. D. thesis, Uppsala University
    • H. Tillborg, Ph. D. thesis, Uppsala University, 1993.
    • (1993)
    • Tillborg, H.1
  • 84
    • 0346891852 scopus 로고    scopus 로고
    • note
    • It is convenient to use the surface energy instead of the total energy because the slope of the surface energy curve at zero concentration of the deposited element is the surface segregation energy.
  • 132
    • 0347522602 scopus 로고    scopus 로고
    • note
    • In this case a supercell of 36 Pt and 108 Rh atoms randomly distributed on the fee lattice has been used in calculations by the LMTO-GF method combined with the LSGF technique [31,32].
  • 134
    • 85085632036 scopus 로고    scopus 로고
    • note
    • 25 appear to be in one direction: [110]. Such a behaviour of the effective pair interactions is most probably connected to the Fermi surface geometry of the system, and this means that one may expect that the pair interactions in the [110] direction to decrease very slowly with distance.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.