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Cohesive energy of zincblende (AIIIBV and AIIBVI) structured solids

机译:闪锌矿(AIII BV 和AII BVI )结构固体的内聚能

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In this paper we present an expression relating the cohesive energy (E coh in kcal/mol) of AIIIBV and AIIBVI semiconductors with the product of ionic charges (Z 1 Z 2) and nearest-neighbour distance d (Å). The cohesive energy values of these solids exhibit a linear relationship when plotted on a log-log scale against the nearest-neighbour distance d (Å), but fall on different straight lines according to the ionic charge product of the solids. A good agreement has been found between the experimental and calculated values of the cohesive energy of AIIIBV and AIIBVI semiconductors.
机译:在本文中,我们提出了一个表达式,该表达式将AIII BV 和AII BVI 半导体的内聚能(kcal / mol中的e coh 以kcal / mol为单位)与离子电荷(Z 1 Z 2 )和最近邻距离d(Å)。这些固体的内聚能值在以对数-对数刻度相对于最近邻居距离d(Å)绘制时呈线性关系,但根据固体的离子电荷积落在不同的直线上。在AIII BV 和AII BVI 半导体的内聚能的实验值和计算值之间找到了很好的一致性。

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