首页> 中文期刊> 《应用数学与应用物理(英文)》 >A Simple Approach to Compute Interatomic Force Constant for Mono and Diatomic Semiconductors

A Simple Approach to Compute Interatomic Force Constant for Mono and Diatomic Semiconductors

             

摘要

In this paper, a mathematical relation was found between interatomic Hooke’s force constant and both the bulk modulus and interatomic distance in solid crystals, considering that the forces which have effect on an atom are only those resulted from the neighboring atoms, and the forces are subject to Hooke’s law as the deflections of atoms from their equilibrium positions are very small. This work has been applied on some solid semiconducting crystals of diatomic primitive cell, including crystals of mono-atomic primitive cell automatically, by using linear statistical fitting with computer programming and, then, using mathematical analysis, proceeding from the vibrational dispersion relation of solid linear lattice, these two methods have been used in the process in order to support each other and for the result to be satisfying and reasonable. This is a contribution to the process of using computer programming in physics to facilitate mathematical analyses and obtain the required relations and functions by designing and developing appropriate computer programs in line with the macro and micro natures of materials. The importance of this is in enhancing our understanding of the interatomic actions in cells and of the crystal structure of materials in general and semiconductors in particular, as it is a step of the initial steps to facilitate the process of calculating energies and extracting mathematical relations between correlation energy and temperature as well as between sub-fusion and fusion energies with temperature.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号