Ab-initio electron transport calculations of carbon based string structures

Details Ab-initio electron transport calculations of carbon based string structures Ab-initio electron transport calculations of carbon based string structures

2004-10-16

arxiv.org/abs/cond-mat/0410418v2

Physical Review Letters 93, 136404 (2004)

Physics

Condensed Matter

Materials Science

4 pages, 4 figures

Scientific paper

10.1103/PhysRevLett.93.136404

First-principles calculations show that monatomic strings of carbon have high cohesive energy and axial strength, and exhibit stability even at high temperatures. Due to their flexibility and reactivity, carbon chains are suitable for structural and chemical functionalizations; they form also stable ring, helix, grid and network structures. Analysis of electronic conductance of various infinite, finite and doped string structures reveal fundamental and technologically interesting features. Changes in doping and geometry give rise to dramatic variations in conductance. In even-numbered linear chains strain induces substantial decrease of conductance. The double covalent bonding of carbon atoms underlies their unusual chemical, mechanical and transport properties.

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