非晶过渡金属合金的电子结构

Françoise Cyrot-Lackmann, Didier Mayou, Duc Nguyen Manh
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引用次数: 11

摘要

用紧密结合模型和随机相位近似研究了无序系统的Sd杂化效应。利用该模型,我们计算了Cux(TM)100−x(TM≡Ti, ZrorHf)型过渡金属非晶合金在整个成分范围内的电子态密度,并考虑了电荷转移和可能的化学短程顺序。我们表明,根据所考虑的合金,化学短程顺序发生在某些给定的成分范围内。我们计算了诸如电阻率和霍尔效应等输运性质,并表明sd杂化对于理解发生在这些材料中的霍尔效应的符号反转是必不可少的。我们还研究了d谐振态的集合耦合到sp导带的情况。这将应用于了解准晶AlMn淬火合金的电子性能。
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Electronic structure of amorphous transition metal alloys

sd hybridization effects are studied for disordered systems using a tight-binding model and a random phase approximation. Using this model, we present calculated electronic densities of states of transition metal amorphous alloys of the type Cux(TM)100−x(TMTi, ZrorHf) across the compositional range, taking into account charge transfer and possible chemical short-range order. We show that chemical short-range order occurs for some given range of compositions, depending on the alloy considered. We compute transport properties such as resistivity and Hall effect and show that sd hibridization is essential to understand the sign reversal of the Hall effect which occurs in these materials. We also study the case of a collection of d resonant states coupled to an sp conduction band. This will be applied to understand the electronic properties of quasi-crystalline AlMn quenched alloys.

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