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Variation of the Structural Properties of IV Element Nano Clusters Due to Tensile Stress

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Author(s): Ahmed M. Abdul-Lettif | Hamed I. Aboud | Zainelabideen Y. Mijbil

Journal: Journal of Biophysical Chemistry
ISSN 2153-036X

Volume: 02;
Issue: 01;
Start page: 16;
Date: 2012;
Original page

Keywords: IV Elements | Structural Properties | Pressure | Nano Materials

ABSTRACT
CNDO/2 method with 27 unit cells composed of 216 atoms, has been used for calculating and studying the lattice constant, density, total energy, cohesive energy, bulk modulus, microhardness, Young modulus, speed of sound, acoustic phonons energy, plasmon energy and vibrational energy, for diamond, silicon, germanium, and gray tin subjected to tensile stress. And to investigate the categories of these clusters; do these clusters have properties of nano materials or properties of bulk materials? It is found that most values of the investigated properties decrease with tensile stress except the lattice constant and the vibrational energy. In addition, two simple formulas have been established for both the bulk modulus and plasmon energy. It is found that the investigated clusters show bulk behavior.
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