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首页> 外文期刊>Physica, B. Condensed Matter >Electronic structure of Au-Ta alloys: An X-ray spectroscopy study
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Electronic structure of Au-Ta alloys: An X-ray spectroscopy study

机译：Au-Ta合金的电子结构：X射线光谱研究

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Au-Ta alloys with the compositions of AuTa, AuTa, and AuTa,, prepared by quenching from the melt, has been studied with X-ray diffraction, photoelectron spectroscopy (XPS) and X-ray absorption near-edge structure (XANES) measurements. It was found that while AuTa, is a single-phase solid solution, AuTa, and AuTa have mixed phases and that the Au and Ta 4f levels of the alloys shift to higher binding energy, relative to the pure metal, this is accompanied by a narrowing of the Au 5d component of the alloy d-band, which moves away from the Fermi level. This observation is interpreted in terms of a charge compensation model in which Au loses d charge but is overcompensated by s-p charge gain, resulting in a small net charge flow from Ta to Au. The observed Ta 4f binding energy shift is as predicted by electronegativity and indicates charge depletion at the Ta site. The notion of d charge depletion at both Au and Ta sites upon alloying is confirmed independently by XANES measurements which showed that the L-2,L-3 edge whiteline intensity for both Au and Ta increases as they become more dilute in the host, indicating an increase in d hole count. The experimental results compare favorably with a recent linear-augmented Slater-type-orbital (LASTO) calculations. The implications of these results are discussed, (C) 1998 Elsevier Science B.V. All rights reserved. [References: 25]
机译：通过X射线衍射，光电子能谱（XPS）和X射线吸收近边缘结构（XANES）测量研究了通过熔体淬火制备的具有AuTa，AuTa和AuTa成分的Au-Ta合金。已发现，虽然AuTa是单相固溶体，但AuTa和AuTa具有混合相，并且相对于纯金属，合金的Au和Ta 4f能级转移到更高的结合能上，这伴随着合金d带的Au 5d组分变窄，从而远离费米能级。此观察结果是根据电荷补偿模型来解释的，其中Au失去d电荷，但被s-p电荷增益过度补偿，导致从Ta到Au的净电荷流较小。观察到的Ta 4f结合能移动是通过电负性预测的，表明Ta位点的电荷耗尽。 XANES测量独立地证实了合金化时Au和Ta位置上的d电荷耗尽的概念，XANES测量结果表明，随着Au和Ta在主体中的稀释度变高，它们的L-2，L-3边缘白线强度增加，这表明d孔数增加。实验结果与最近的线性增强的Slater型轨道（LASTO）计算相比具有优势。 （C）1998 Elsevier Science B.V.保留所有权利。 [参考：25]

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