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Volumn 114, Issue 7, 2010, Pages 2689-2696

Ferromagnetism in Carbon-doped zinc oxide systems

Author keywords

[No Author keywords available]

Indexed keywords

CARBON ATOMS; CARBON IMPURITIES; DENSITY-FUNCTIONAL CALCULATIONS; EIGENVALUE SPECTRA; FERRO-MAGNETIC INTERACTIONS; FERROMAGNETIC PROPERTIES; NEAREST NEIGHBORS; RING STRUCTURES; SPIN DENSITIES; SPIN-POLARIZED; THREE-DIMENSIONAL STRUCTURE; ZINC ATOMS; ZNO;

EID: 77249087870     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp910594m     Document Type: Article
Times cited : (55)

References (34)
  • 27
    • 77249160436 scopus 로고    scopus 로고
    • We have calculated atomic exchange splitting within the exchange correlation potential as used to calculate other properties. The results are obtained using VASP using a very large unit cell of length on the order of 30 Å.
    • We have calculated atomic exchange splitting within the exchange correlation potential as used to calculate other properties. The results are obtained using VASP using a very large unit cell of length on the order of 30 Å.
  • 32
    • 77249154849 scopus 로고    scopus 로고
    • Two softwares-namely, VASP and CASTEP-are used only for the verification of results. These results are found to be consistent with each other. The eigenvalue spectra of the atomic free atom is taken from VASP results. This is because the VASP gives the flexibility of filling in. the number of electrons, which is required to get the correct exchange splitting of 2p levels. All the other results presented in the paper are obtained by CASTEP.
    • Two softwares-namely, VASP and CASTEP-are used only for the verification of results. These results are found to be consistent with each other. The eigenvalue spectra of the atomic free atom is taken from VASP results. This is because the VASP gives the flexibility of filling in. the number of electrons, which is required to get the correct exchange splitting of 2p levels. All the other results presented in the paper are obtained by CASTEP.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.