科研之友
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摘要
In the present paper we have calculated the number of constraints, effective coordination number, theoretical band gap, average heat of atomization, average single bond energy, lone pair electrons, bond energy of different bonds, glass transition temperature and mean bond energy for Ge(17)Se(83-x)In(x) (x = 0, 3, 6, 9, 12, 15) alloys. Alloys were prepared using melt quenching technique. It has been observed that theoretical band gap decreases with the increase of In content. This decrease may be explained on the basis of increase in heat of atomization with the increase of In content. From the mean bond energy calculations it has been found that there is a change in trend at < r > = 2.43.
- 出版日期2010-10
