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Electronic Structures of Cu4, Cu3Zn and Zn4 Clusters?

並列摘要


In this paper we calculated the electronic structures of Cu4, Cu3Zn and Zn4 clusters using the SCF-Xα-SW method. Along with the orbital energies, the charge distribution and fractional principal partial wave character of all relevant orbitals were also calculated. The results are consistent with the band structures and the experimental data of the corresponding bulk crystalline solids, and show that the cluster approach in conjuction with the SCF-Xa-SW method is not only an effective means to study impuity problems but also a useful method to study ordered alloys and disordered alloys, such as n-brass.

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被引用紀錄


林俊成(2009)。共晶錫鉛銲料電鍍於95/5高鉛銲料之擴散偶基本研究〔碩士論文,國立臺灣大學〕。華藝線上圖書館。https://doi.org/10.6342/NTU.2009.02294

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