Journal
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
Volume 41, Issue 10, Pages 1795-1799Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physe.2009.07.001
Keywords
First principle; Electronic structure; Nanosheet; Nanotube
Funding
- National Natural Science Foundation of China [10675075]
- National Basic Research 973 Program of China [2005CB623602]
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We perform first-principle calculations to study the geometric and electronic structures of cobalt silicide (CoSi2) nanosheet and nanotubes. The structure of layered CoSi2 is characterized by a CoSi2 nanosheet, analogous to the (111) surface of CoSi2 crystal. The strain energy involved in rolling up a CoSi2 nanosheet to CoSi2 nanotubes is very low. Both the CoSi2 nanosheet and nanotubes are energetically stable. CoSi2 nanotubes prefer to form bundles to further release strain energy. All CoSi2 nanotubes exhibit uniformly metallicity and steady work functions, independent of tube chirality. (C) 2009 Elsevier B.V. All rights reserved.
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