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A comparative study of the electronic structure of the first row transition metal clusters

机译:第一行过渡金属簇的电子结构的比较研究

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PHotoelectron spectra of several first row transition metal clusters, including Ti_n, V_n, Cr_n,Fe_n, and Co_n (n=4,6,7,13) are studied comparatively. it is observed that generally the electron affinity of the clusters increases for a given cluster size from Ti to Co. However, there are exceptions, most likely caused by cluster geometry variations. The Cr clusters exhibit dramatic size dependence both in terms of their electron affinity and their spectral features. These can be understood by their unusual dimer growth structures. The cluster structures are discussed on the similarity or variation of the spectral pattern for a give size. The comparative study is shown to be quite useful in elucidating the electronic and geometrical structures of the small transition metal clusters.
机译:相对研究,几种第一行过渡金属簇的光电子光谱,包括Ti_N,V_N,CR_N,FE_N和CO_N(n = 4,6,7,13)。 观察到,通常,簇的电子亲和力从Ti到Co.的给定簇大小增加,但是,存在异常,最可能由集群几何变化引起。 CR集群在其电子亲和力和它们的光谱特征方面表现出剧烈的尺寸依赖性。 它们可以通过它们不寻常的二聚体生长结构来理解。 群集结构是关于给出尺寸的频谱图案的相似性或变化。 比较研究显示在阐明小过渡金属簇的电子和几何结构方面非常有用。

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