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Volumn 113, Issue 15, 2009, Pages 6256-6260

First-principles study on even - odd conductance oscillation of Pt atomic nanowires

Author keywords

[No Author keywords available]

Indexed keywords

CONDUCTANCE OSCILLATIONS; ELECTRON-TRANSPORT PROPERTIES; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDIES; LOW SENSITIVITIES; OSCILLATION BEHAVIORS; OSCILLATION PATTERNS; OSCILLATORY BEHAVIORS; PT NANOWIRES; SPATIAL DEFORMATIONS; ZIGZAG CONFIGURATIONS;

EID: 65349085489     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp811214k     Document Type: Article
Times cited : (12)

References (51)
  • 42
    • 65349137721 scopus 로고    scopus 로고
    • The Fermi level shifts when the Kohn-Sham effective potential is computed by the conventional supercell. The difference in the Fermi level from the case of Lz, nd, 112h is ~0.04 eV in the case of the 3-atom Pt nanowire. According to Figure 3a, the crossing point between the s, d z2 band and the Fermi level does not change significantly when the Fermi level shifts by 0.04 eV. Therefore, the electrode region is chosen to be sufficiently large to lead the conclusion of this study
    • 2 band and the Fermi level does not change significantly when the Fermi level shifts by 0.04 eV. Therefore, the electrode region is chosen to be sufficiently large to lead the conclusion of this study.
  • 43
    • 65349173695 scopus 로고    scopus 로고
    • We used the norm-conserving pseudopotentials NCPS97 constructed by Kobayashi: Kobayashi. K. Comput. Mater. Sci. 1999, 14, 72
    • We used the norm-conserving pseudopotentials NCPS97 constructed by Kobayashi: Kobayashi. K. Comput. Mater. Sci. 1999, 14, 72.
  • 51
    • 34447536716 scopus 로고    scopus 로고
    • Since the latest theoretical study using the empirical parameters of Zoubkoff et al (Zoubkoff, R.; de la Vega, L.; Martín-Rodero, A.; Yeyati, A. L.; Saúl, A. Phys. B 2007, 398, 309. ) reported that the finite nanowire between electrodes does not form the zigzag structure, the existence of the zigzag structure of the nanowire between electrodes might be an unsettled question.
    • Since the latest theoretical study using the empirical parameters of Zoubkoff et al (Zoubkoff, R.; de la Vega, L.; Martín-Rodero, A.; Yeyati, A. L.; Saúl, A. Phys. B 2007, 398, 309. ) reported that the finite nanowire between electrodes does not form the zigzag structure, the existence of the zigzag structure of the nanowire between electrodes might be an unsettled question.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.