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首页> 外文期刊>Physica, B. Condensed Matter >A study of electronic structure of CdSe by Compton scattering technique
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A study of electronic structure of CdSe by Compton scattering technique

机译：康普顿散射技术研究CdSe的电子结构

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摘要

The electronic structure of CdSe through a Compton profile study is presented in this paper. Theoretical calculations are performed following the empirical pseudopotential method and the linear combination of atomic orbitals method. The measurement on a polycrystalline sample of CdSe is performed using 59.54 keV gamma-rays from ~(241)Am radioisotope. The spherically averaged theoretical Compton profiles are in agreement with the measurement. The best agreement is, however, shown by the linear combination of atomic orbitals method based on the HartreeFock theory. The electron momentum density is also discussed in terms of theoretical anisotropies in the directional Compton profiles calculated from the linear combination of atomic orbitals method. On the basis of equal valence electron-density profiles, it is found that CdSe is less covalent compared to ZnSe. The superposition model suggests the transfer of 1.6 electrons from Cd to Se on compound formation.
机译：本文通过Compton分布研究介绍了CdSe的电子结构。理论计算是根据经验pseudo势方法和原子轨道的线性组合方法进行的。使用来自〜（241）Am放射性同位素的59.54 keVγ射线对CdSe的多晶样品进行测量。球形平均理论康普顿轮廓与测量结果一致。但是，基于HartreeFock理论的原子轨道线性组合方法显示出最好的一致性。还根据从原子轨道方法的线性组合计算出的定向康普顿分布中的理论各向异性，讨论了电子动量密度。根据等价的电子密度分布图，发现CdSe的共价价比ZnSe低。叠加模型表明化合物形成时有1.6个电子从Cd转移到Se。

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