Semiconducting form of the first-row elements: (formula presented) chain encapsulated in BN nanotubes

Physical Review B - Condensed Matter and Materials Physics

Volumn 64, Issue 20, 2001, Pages

  Okada, Susumu ^a   Oshiyama, Atsushi ^a   Saito, Susumu ^b  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85038964651     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.64.201303     Document Type: Article

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36. The bottom of the conduction band of the h-BN sheet is at K point with unoccupied (formula presented) character, while the NFE state which is distributed about 2–3 Å above and below the sheet is also found to emerge in the same energy region at the (formula presented) point. In the GW calculation, the h-BN sheet has indirect gap between K and (formula presented) points.25 The bottom of conduction band possess the nearly free electron state character.
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