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Size and surface orientation effects on thermal expansion coefficient of one-dimensional silicon nanostructures
 

Summary: Size and surface orientation effects on thermal expansion coefficient
of one-dimensional silicon nanostructures
H. Zhao and N. R. Alurua
Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and
Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
Received 18 August 2008; accepted 4 April 2009; published online 21 May 2009
We perform classical molecular dynamics simulations based on the Tersoff interatomic potential to
investigate the size and surface orientation dependence of lattice constant and thermal expansion
coefficient of one-dimensional silicon nanostructures. Three different surface orientations of silicon
are considered, i.e., Si 110 , Si 111 , and Si 100 with 2 1 reconstruction. For each surface
orientation, we investigate nanostructures with thicknesses ranging from 0.3 to 5.0 nm. We compute
the vibrational amplitude of surface atoms, lattice constant, and thermal expansion coefficient as a
function of size and temperature, and compare them for different surface orientations. An analytical
expression is developed to compute the variation of the thermal expansion coefficient with size of
the nanostructure. 2009 American Institute of Physics. DOI: 10.1063/1.3126499
I. INTRODUCTION
Applications based on micro- and nanoelectromechani-
cal systems MEMS and NEMS have grown substantially
over the past few years. An important issue when dealing
with micro- and nanoscale devices is to accurately predict

  

Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign

 

Collections: Engineering; Materials Science