Lattice Energies and Other Properties of Crystals of Alkaline Earth Chalcogenides
Lattice Energies and Other Properties of Crystals of Alkaline Earth Chalcogenides
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碱土硫属化物晶体的晶格能量和其他性质
DOI：
10.1143/jpsj.12.241
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发表时间：
1957
影响因子：
1.7
通讯作者：
Y. Sakamoto
中科院分区：
文献类型：
--
作者：
M. Huggins;Y. Sakamoto
本文用已有的方法计算了Be ~（++）、Mg ~（++）、Ca ~（++）、Sr ~（++）、Ba ~（++）、O ~-、S ~-、Se ~-、Te ~-等20个二元化合物的晶格能。由于缺乏足够可靠的压缩性数据，计算中采用了两种不同的假设，即关于排斥能量项指数中常数a的大小。这两个假设产生的晶格能在大多数情况下相差约20千卡。一般来说，对于每种类型的离子，“恒定能量半径”的单个值就足够了。然而，对于铍化合物，每种化合物的Be ++离子必须使用不同的半径。在MgTe也，从推导出的其他镁化合物的Mg ++半径略有不同的是必需的。这些不规则性可能与这些晶体具有“四面体”结构的事实有关，与其他晶体不同，这些晶体具有显著但未知量的共价键。推导出的特征常数。
The lattice energies of the 20 binary compounds composed of Be ++ Mg ++ , Ca ++ , Sr ++ , Ba ++ , O - , S - , Se - and Te - have been computed by previously well-tested procedures. Because of lack of sufficiently reliable compressibility data, the computations have been made with two different assumptions regarding the magnitude of the constant a in the exponent of the repulsion energy term. These two assumptions yield lattice energies which differ, in most cases, by about 20 kcal. In general, a single value of the “constant energy radius” suffices for each type of ion. For the beryllium compounds, however, it was necessary to use different radii for the Be ++ ion for each compound. In MgTe also, a slightly different Mg ++ radius from that deduced for the other magnesium compounds was required. These irregularities may be related to the fact that these crystals have “tetrahedral” structures, unlike the others, with significant but unknown amounts of covalent bonding. The characteristic constants deduced s...