Self-energy corrections to DFT-LDA gaps of realistic carbon nanotubes

被引：0

作者：

Satta, G ^{[1
]}

Cappellini, G ^{[1
]}

Casula, F ^{[1
]}

机构：

[1] Univ Cagliari, INFM, I-09042 Cagliari, Italy

来源：

NANOPHASE AND NANOCOMPOSITE MATERIALS IV | 2002年 / 703卷

关键词：

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Since their discovery carbon nanotubes have attracted much interest for their peculiar electronic properties which go from metallic to semiconducting behaviour, depending both on diameter and chirality. The exact value of their band gap is obviously a crucial point to be addressed because it enters in the nanotube application as microelectronic devices. By making use of an efficient GW scheme, previously tested on bulk systems, as well as of a model screening function, we obtained for the first time excitation energies and band-gap values for carbon nanotubes. Results for (6, 0) and (7, 0) will be presented and discussed.

引用

页码：93 / 98

页数：6

共 24 条

[11] THE DENSITY FUNCTIONAL FORMALISM, ITS APPLICATIONS AND PROSPECTS [J].

JONES, RO ;

GUNNARSSON, O .

REVIEWS OF MODERN PHYSICS, 1989, 61 (03) :689-746

[12] PLASMONS AND OPTICAL-PROPERTIES OF CARBON NANOTUBES [J].

LIN, MF ;

SHUNG, KWK .

PHYSICAL REVIEW B, 1994, 50 (23) :17744-17747

[13] ARE FULLERENE TUBULES METALLIC [J].

MINTMIRE, JW ;

DUNLAP, BI ;

WHITE, CT .

PHYSICAL REVIEW LETTERS, 1992, 68 (05) :631-634

[14] AB-INITIO CALCULATIONS OF THE QUASI-PARTICLE AND ABSORPTION-SPECTRA OF CLUSTERS - THE SODIUM TETRAMER [J].

ONIDA, G ;

REINING, L ;

GODBY, RW ;

DELSOLE, R ;

ANDREONI, W .

PHYSICAL REVIEW LETTERS, 1995, 75 (05) :818-821

[15]

Porcu M, 1998, MATER RES SOC SYMP P, V491, P149

[16] Materials science - The smallest carbon nanotube [J].

Qin, LC ;

Zhao, XL ;

Hirahara, K ;

Miyamoto, Y ;

Ando, Y ;

Iijima, S .

NATURE, 2000, 408 (6808) :50-50

[17] ELECTRONIC-STRUCTURE OF GRAPHENE TUBULES BASED ON C-60 [J].

SAITO, R ;

FUJITA, M ;

DRESSELHAUS, G ;

DRESSELHAUS, MS .

PHYSICAL REVIEW B, 1992, 46 (03) :1804-1811

[18]

SAITO R, 1996, PHYSICAL PROPERTIES

[19] DENSITY-FUNCTIONAL THEORY OF THE BAND-GAP [J].

SHAM, LJ ;

SCHLUTER, M .

PHYSICAL REVIEW B, 1985, 32 (06) :3883-3889

[20] EFFICIENT PSEUDOPOTENTIALS FOR PLANE-WAVE CALCULATIONS [J].

TROULLIER, N ;

MARTINS, JL .

PHYSICAL REVIEW B, 1991, 43 (03) :1993-2006

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