Interwall interaction and electronic structure of double-walled BN nanotubes
نویسندگان
چکیده
منابع مشابه
Structure and electronic properties of single–walled zigzag BN and B3C2N3 nanotubes using first-principles methods
The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...
متن کاملStructure and electronic properties of single–walled zigzag BN and B3C2N3 nanotubes using first-principles methods
The structure and the electronic properties of single-walled zigzag BN and B3C2N3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. A plane–wave basis set with periodic boundary conditions in conjunction with Vanderbilt ultrasoft pseudo-potential was employed. The energy gap of ZB3C<su...
متن کاملstructure and electronic properties of single–walled zigzag bn and b3c2n3 nanotubes using first-principles methods
the structure and the electronic properties of single-walled zigzag bn and b3c2n3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. a plane–wave basis set with periodic boundary conditions in conjunction with vanderbilt ultrasoft pseudo-potential was employed. the energy gap of zb3c2n3nts was calculated and compared with the cor...
متن کاملDependence of Geometric and Spectroscopic Properties of Double-walled Boron Nitride Nanotubes on Interwall Distance
We have used density functional theory (DFT) and time dependent (TD)-DFT to systematically investigate the dependency of the geometric and vibroelectronic properties of zigzag and armchair-type doublewalled boron nitride nanotubes ((0,m)@(0,n) and (m,m) @(n,n)-DWBNNTs) on the interwall distance (ΔR) and the number of unit cells. The results of the calculations showed that their structural stabi...
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The low-frequency electronic excitations in double-walled armchair carbon nanotubes are studied within the random-phase approximation. The intertube atomic overlaps significantly affect the low-energy bands and thus enrich the low-frequency single-particle excitations and collective excitations. They induce more plasmon modes, reduce the plasmon strength, and change acoustic plasmons into optic...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2002
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.65.165410