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首页> 外文会议>Symposium on Nanostructured Interfaces, Apr 2-4, 2002, San Francisco, California >Evolution of the electronic structure of metallic multilayers from two to three-dimensionality. A Full Potential Linearized Augmented Plane Wave calculation
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Evolution of the electronic structure of metallic multilayers from two to three-dimensionality. A Full Potential Linearized Augmented Plane Wave calculation

机译：金属多层电子结构从二维到三维的演变。全电位线性化增强平面波计算

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Full Potential Linearized Augmented Plane Wave calculations have been performed for epitaxial multilayers formed by the noble metals Ag and Cu with a thickness n up to 10 layers. The multilayers have a fcc lattice and are pure or compositionally modulated with a structure of the type Ag_n Cu_n or (AgCu)_n. For n in the range 2,3 the density of states, evaluated at paramagnetic level, exhibits a sharp reduction of the bandwidth which is consistent with the reduced coordination of these structures. For n ≥ 5 the density of states in the central layers converges to the bulk value while the outer layers retain the narrow bandwidth found at n=2. Due to the absence of charge intermixing and hybridization, these features are shared by multilayers of all composition.
机译：已经对由厚度最大为10的n的贵金属Ag和Cu形成的外延多层进行了全势线性化增强平面波计算。所述多层具有fcc晶格，并且用Ag_n Cu_n或（AgCu）_n类型的结构纯净或组成调制。对于在2.3范围内的n，以顺磁性水平评估的状态密度显示出带宽的急剧减小，这与这些结构的降低的协调一致。当n≥5时，中心层的状态密度收敛于体积值，而外层则保持在n = 2处的窄带宽。由于不存在电荷混合和杂化，这些特征被所有组成的多层所共有。

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