Structural stability, electronic properties, and quantum conductivity of small-diameter silicon nanowires

Inna Ponomareva, Madhu Menon, Ernst Richter, and Antonis N. Andriotis

Phys. Rev. B 74, 125311 – Published 19 September 2006

Abstract

Structures and energetics of various types of silicon nanowires have been investigated using quantum molecular dynamics simulations to determine the most stable forms. The tetrahedral type nanowires oriented in the ⟨111⟩ direction are found to be the most stable. The stability of the cagelike nanowires is determined to lie somewhere between this and tetrahedral nanowires oriented in other directions. Furthermore, their electrical conducting properties are found to be better than those of tetrahedral nanowires, suggesting useful molecular electronic applications.

Received 3 April 2006

DOI:https://doi.org/10.1103/PhysRevB.74.125311

Authors & Affiliations

Inna Ponomareva^*

Department of Physics, University of Arkansas, Fayetteville, Arkansas 72701, USA

Madhu Menon^†

Department of Physics and Astronomy and Center for Computational Sciences, University of Kentucky, Lexington, Kentucky 40506, USA

Ernst Richter^‡

DaimlerChrysler AG FT3/SA, Wilhelm-Runge-Strasse 11, 89081 Ulm, Germany

Antonis N. Andriotis^§

Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, P.O. Box 1527, Heraklio, Crete, 71110, Greece

^*Electronic address: iponoma@uark.edu
^†Electronic address: super250@pop.uky.edu
^‡Electronic address: ernst.richter@daimlerchrysler.com
^§Electronic address: andriot@iesl.forth.gr

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Vol. 74, Iss. 12 — 15 September 2006

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covering condensed matter and materials physics