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Volumn 8, Issue 10, 2008, Pages 3257-3261

Quantum-interference-controlled molecular electronics

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; ANNULENE; COHERENT TRANSPORTS; GREEN FUNCTION METHODS; MOLECULAR RINGS; QUANTUM INTERFERENCE EFFECTS; QUANTUM INTERFERENCES; SINGLE PARTICLES;

EID: 58149524482     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl8016175     Document Type: Article
Times cited : (240)

References (42)
  • 3
    • 38949169781 scopus 로고    scopus 로고
    • Koentopp, M.; Chang, C; Burke, K.; Car, R. J. Phys.: Condens. Matter 2008, 20, Article 083203 (21 pp).
    • Koentopp, M.; Chang, C; Burke, K.; Car, R. J. Phys.: Condens. Matter 2008, 20, Article 083203 (21 pp).
  • 24
    • 0038120905 scopus 로고    scopus 로고
    • Louis, E.; Verges, J. A.; Palacios, J. J.; Pérez-Jiménez, A. J.; SanFabián,E. Phys. Rev. B 2003, 67, Article155321 (5 pp).
    • Louis, E.; Verges, J. A.; Palacios, J. J.; Pérez-Jiménez, A. J.; SanFabián,E. Phys. Rev. B 2003, 67, Article155321 (5 pp).
  • 32
    • 84869253189 scopus 로고    scopus 로고
    • This value is chosen by almost reproducing the transmission functions of Au-conjugated molecule-Au junctions, obtained with ab initio calculated self-energies for the semi-infinite leads. A change in γ of up to ±2 eV will cause quantitative difference in the transmission function but does not alter the qualitative conclusion
    • This value is chosen by almost reproducing the transmission functions of Au-conjugated molecule-Au junctions, obtained with ab initio calculated self-energies for the semi-infinite leads. A change in γ of up to ±2 eV will cause quantitative difference in the transmission function but does not alter the qualitative conclusion.
  • 33
    • 84869248921 scopus 로고    scopus 로고
    • The structure optimization calculations are performed by using a numerical basis set of double-ζ plus polarization (DZP)40 combined with the use of optimized Troullier-Martins pseudo-potentials 41. The generalized gradient approximation in the version of PBE 42 is adopted for the exchange and correlation
    • 42 is adopted for the exchange and correlation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.