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Volumn 80, Issue 23, 2009, Pages

Band-structure topologies of graphene: Spin-orbit coupling effects from first principles

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EID: 77954710568     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.235431     Document Type: Article
Times cited : (660)

References (31)
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    • The precise value of the intrinsic gap depends on the muffin-tin radius, since Wien2k calculates spin-orbit coupling only inside the muffin-tin sphere. (The present calculations use the maximum allowed sphere radius.) Although spin-orbit coupling is concentrated around the atom cores, making the inner-sphere approximation rather accurate, it is likely that the actual value of the gap is somewhat larger.
    • The precise value of the intrinsic gap depends on the muffin-tin radius, since Wien2k calculates spin-orbit coupling only inside the muffin-tin sphere. (The present calculations use the maximum allowed sphere radius.) Although spin-orbit coupling is concentrated around the atom cores, making the inner-sphere approximation rather accurate, it is likely that the actual value of the gap is somewhat larger.
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    • The contribution to λI changes nonmonotonic as the maximum orbital state max in the second variational scheme is increased. For max =1, 2, and 3 and more, we get 2 λI ≈1, 26, and 24μeV.
    • The contribution to λ I changes nonmonotonic as the maximum orbital state max in the second variational scheme is increased. For max = 1, 2, and 3 and more, we get 2 λ I ≈1, 26, and 24 μ eV.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.