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Volumn 131, Issue 19, 2009, Pages 6874-6879

Tunable ferromagnetic spin ordering in boron nitride nanotubes with topological fluorine adsorption

Author keywords

[No Author keywords available]

Indexed keywords

BORON NITRIDE NANOTUBES; FERROMAGNETIC ORDERINGS; FERROMAGNETIC SPIN ORDERING; FIRST-PRINCIPLES CALCULATION; FLUORINE ATOMS; HALF METALS; LOCAL CURVATURE; PIEZOMAGNETIC; SPIN DEVICE; TUBE DIAMETERS;

EID: 67650529505     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja901586k     Document Type: Article
Times cited : (95)

References (52)
  • 38
    • 67650539309 scopus 로고    scopus 로고
    • The hybrid B3LYP calculations are implemented in PCGAMESS with the 6-31G* basis set
    • The hybrid B3LYP calculations are implemented in PCGAMESS with the 6-31G* basis set.
  • 46
    • 67650545183 scopus 로고    scopus 로고
    • The extra charges are induced into the systems by adjusting the charge neutrality level, with a uniform jellium countercharge
    • The extra charges are induced into the systems by adjusting the charge neutrality level, with a uniform jellium countercharge.
  • 47
    • 67650530029 scopus 로고    scopus 로고
    • Adsorption energy is calculated by subtracting the total energy of the F-BNNT from the total energies of a pristine BNNT and an isolated F atom in the triplet state, with the same calculating parameters
    • Adsorption energy is calculated by subtracting the total energy of the F-BNNT from the total energies of a pristine BNNT and an isolated F atom in the triplet state, with the same calculating parameters.
  • 51
    • 67650550987 scopus 로고    scopus 로고
    • 2 molecule. Positive δG means that the system is metastable with respect to a flat BN sheet
    • 2 molecule. Positive δG means that the system is metastable with respect to a flat BN sheet.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.