منابع مشابه
Silicon and III-V compound nanotubes: Structural and electronic properties
Unusual physical properties of single-wall carbon nanotubes have started a search for similar tubular structures of other elements. In this paper, we present a theoretical analysis of single-wall nanotubes of silicon and group-III-V compounds. Starting from precursor graphenelike structures we investigated the stability, energetics, and electronic structure of zigzag and armchair tubes using th...
متن کاملinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
15 صفحه اولStructural stability and electronic properties of sp3 type silicon nanotubes.
A density functional theory study of the structural and electronic properties and relative stability of narrow hydrogen passivated sp(3) silicon nanotubes of different growth orientations is presented. All nanotubes studied and their corresponding wire structures are found to be meta-stable with the wires being more energetically stable. Silicon nanotubes show a dramatic bandgap increase of up ...
متن کاملStructural and Transport Properties of Silicon Nanowires and Carbon Nanotubes
y (1) Si nanowire models were constructed by density functional theory (DFT) using PBE atom potentials with spin polarization. Hydrogen atoms were used to terminate the surface silicon atoms of the nanowire. When the surface silicon atoms on nanowire were fully terminated by hydrogen atoms, the H/Si ratio was 0.92 (Fig.1 (a)) and when the surface silicon atoms were not maximally saturated, the ...
متن کاملFluorination Effects on the Structural Stability and Electronic Properties of sp‐type Silicon Nanotubes
A density functional theory study of the structural and electronic properties and relative stability of fluorinated sp silicon nanotubes and their corresponding silicon nanowires built along various crystallographic orientations is presented. The structural stability is found to increase linearly with fluorine surface coverage, and for coverages exceeding 25%, the tubular structures are predict...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2005
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.72.075420