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

• 作者: Ahmed M. Abdul-Lettif Hamed I. Aboud Zainelabideen Y. Mijbil
• 来源期刊: 凝固态物理国际期刊(英文)
• 学科: 化学
• 关键词: IV Elements STRUCTURAL Properties Pressure NANO Materials
• 年，卷（期）: 2012,（1）
• 页码范围: 16-23
• 页数: 8页
• 分类号: O6

摘要

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.