Journal ArticleDOI
Electronic structure of single wall carbon nanotube bundles under compression as compared to graphite and hexagonal graphene stacking
TLDR
In this paper, single-wall carbon nanotube bundles (SWCNTBs) undergo structural phase transformations under pressure, and the electronic band structure reveals that bundles of SWCNTs with three-fold symmetry have increased quasi band gaps.Abstract:
Single-wall carbon nanotube bundles (SWCNTBs) undergo structural phase transformations under pressure. Examination of the electronic band structure reveals that bundles of SWCNTs with three-fold symmetry have increased quasi band gaps, while bundles of SWCNTs without three-fold symmetry remain metallic under hydrostatic compression.read more
References
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Journal ArticleDOI
Broken symmetry and pseudogaps in ropes of carbon nanotubes
Paul Delaney,Hyoung Joon Choi,Hyoung Joon Choi,J. Ihm,J. Ihm,Steven G. Louie,Marvin L. Cohen +6 more
TL;DR: In this paper, it was shown that a broken symmetry of the (10,10) tube caused by interactions between tubes in a rope induces a pseudogap of about 1/eV at the Fermi level.
Journal ArticleDOI
Structural phase transition in carbon nanotube bundles under pressure
TL;DR: In this paper, the authors measured the Raman shifts as functions of pressure for the radial breathing mode and tangential modes in carbon nanoropes containing (10,10) and (17,0) single-walled tubes.
Journal ArticleDOI
Novel polygonized single-wall carbon nanotube bundles.
TL;DR: This work synthesizes novel crystalline ropes of "polygonized" single-wall carbon nanotubes (SWCNTs) and finds several metastable structures of the lattice characterized by different tube cross sections, hexagonal, rounded-hexagonal, and circular, and increasing cell volume.
Journal ArticleDOI
First-Principles Study of Carbon Nanotube Solid-State Packings
TL;DR: In this paper, a hexagonal packing with an inter-distance of 3.14 Angstrom between the tubes is found to be the most stable and the matching of atomic positions between nearest neighbours is an important contribution to the intertubule cohesive energy, and the consequences of this fact on packing of non-hexagonal tubules.
Journal ArticleDOI
Pressure and Orientation Effects on the Electronic Structure of Carbon Nanotube Bundles
TL;DR: In this paper, the authors study pressure and orientation effects on geometric and electronic structures of crystalline bundles consisting of single-wall carbon nanotubes, (6, 0), (8, 0, 6, 6), and 12, 0.
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