Effect of orientation on the band structure of C58BN hetero-fullerenes in FCC solid phase

Keivan Esfarjani; Kaoru Ohno; Yoshiyuki Kawazoe; Bing Lin Gu

doi:10.1016/0038-1098(95)00617-6

Effect of orientation on the band structure of C₅₈BN hetero-fullerenes in FCC solid phase

Keivan Esfarjani, Kaoru Ohno, Yoshiyuki Kawazoe, Bing Lin Gu

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article

11 Citations (Scopus)

Abstract

Using an all-electron mixed-basis approach and within the local density approximation, the electronic structure of C₅₈BN hetero-fullerenes in the solid fee phase has been calculated as a function of their orientation. We study the three cases where the boron-nitrogen pair is oriented along [1 0 0], [1 1 0] and [1 1 1] directions, and discuss the stability and the band structure of three 3 systems.

Original language	English
Pages (from-to)	539-542
Number of pages	4
Journal	Solid State Communications
Volume	97
Issue number	6
DOIs	https://doi.org/10.1016/0038-1098(95)00617-6
Publication status	Published - 1996 Feb

Keywords

A. fullerenes
A. semiconductors
C. crystal structure and symmetry
D. electronic band structure

ASJC Scopus subject areas

Chemistry(all)
Condensed Matter Physics
Materials Chemistry

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10.1016/0038-1098(95)00617-6

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Esfarjani, K., Ohno, K., Kawazoe, Y., & Gu, B. L. (1996). Effect of orientation on the band structure of C₅₈BN hetero-fullerenes in FCC solid phase. Solid State Communications, 97(6), 539-542. https://doi.org/10.1016/0038-1098(95)00617-6

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KW - D. electronic band structure

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