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轴向扭转对sp碳原子线的影响。

Effect of axial torsion on sp carbon atomic wires.

作者信息

Ravagnan Luca, Manini Nicola, Cinquanta Eugenio, Onida Giovanni, Sangalli Davide, Motta Carlo, Devetta Michele, Bordoni Andrea, Piseri Paolo, Milani Paolo

机构信息

Dipartimento di Fisica, Università degli Studi di Milano, 20133 Milano, Italy.

出版信息

Phys Rev Lett. 2009 Jun 19;102(24):245502. doi: 10.1103/PhysRevLett.102.245502. Epub 2009 Jun 17.

Abstract

Ab initio calculations within density-functional theory combined with experimental Raman spectra on cluster-beam deposited pure-carbon films provide a consistent picture of sp-carbon chains stabilized by sp;{3} or sp;{2} terminations, the latter being sensitive to torsional strain. This unexplored effect promises many exciting applications since it allows one to modify the conductive states near the Fermi level and to switch on and off the on-chain pi-electron magnetism.

摘要

基于密度泛函理论的从头计算与团簇束沉积纯碳薄膜的实验拉曼光谱相结合,提供了一幅由sp³或sp²端基稳定的sp碳链的一致图像,后者对扭转应变敏感。这种未被探索的效应有望带来许多令人兴奋的应用,因为它使人们能够改变费米能级附近的导电状态,并开启和关闭链上π电子磁性。

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