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Cohesive energy of zincblende (A$^{III}$ B$^{V}$ and A$^{II}$B$^{VI}$) structured solids

机译:闪锌矿(A $ ^ {III} $ B $ ^ {V} $和A $ ^ {II} $ B $ ^ {VI} $)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 A$^{III}$B$^{V}$ and A$^{II}$ B$^{VI}$ semiconductors with the product of ionic charges ($Z_{1}Z_{2}$) and nearest-neighbour distance d (?…). The cohesive energy values of these solids exhibit a linear relationship when plotted on a loga€“log scale against the nearest-neighbour distance e?‘‘(?…), 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 A$^{III}$B$^{V}$ and A$^{II}$B$^{VI}$ semiconductors.
机译:在本文中,我们提出了一个与A $ ^ {III} $ B $ ^ {V} $和A $ ^ {II} $ B $ ^ {VI的内聚能(e?coh千卡/摩尔)相关的表达式} $半导体,其离子电荷($ Z_ {1} Z_ {2} $)与最近邻距离d(?...)乘积。这些固体的内聚能值在以对数标度对最近邻距离e?(?...)进行绘制时表现出线性关系,但根据固体的离子电荷积落在不同的直线上。在A $ ^ {III} $ B $ ^ {V} $和A $ ^ {II} $ B $ ^ {VI} $半导体的内聚能的实验值和计算值之间找到了很好的协议。

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