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首页> 外文期刊>Physica, B. Condensed Matter >Modeling the electronic transport properties of Al-Cu-Fe phases
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Modeling the electronic transport properties of Al-Cu-Fe phases

机译:模拟Al-Cu-Fe相的电子传输特性

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The temperature dependence of transport coefficients is theoretically examined for Al-Cu-Fe phases. We investigate the electronic conductivity, the thermoelectric power, the Hall coefficient, the thermalconductivity, and the Lorenz number. The spectral dependence of the resistivity is modeled by means of a wide and a narrow Lorentzian in accordance with results of ab initio calculations (LMTO-ASA, Kubo-Greenwood formula). This model extracts those properties from the ab initio results which are indispensables to consistently explain the transport coefficients mentioned above. Sub-diffusive transport is found in our ab initio results. The validities of both the Matthiessen rule and the Wiedemann-Franz law are analyzed. We generalize to the bulk quasicrystal where the narrow Lorentzian is found to become more pronounced than in the (1/1) approximant. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 47]
机译:理论上研究了Al-Cu-Fe相的输运系数与温度的关系。我们研究电子导电率,热电功率,霍尔系数,热导率和洛伦兹数。根据从头算的结果(LMTO-ASA,Kubo-Greenwood公式),通过宽和窄的洛伦兹模型对电阻率的频谱依赖性进行建模。该模型从头算结果中提取了那些特性,这些特性对于一致地解释上述传输系数是必不可少的。从头算的结果中发现了亚扩散运输。分析了Matthiessen规则和Wiedemann-Franz定律的有效性。我们将其推广到块准晶体,在那里发现狭窄的洛伦兹形比(1/1)近似中的更明显。 (C)2001 Elsevier Science B.V.保留所有权利。 [参考:47]

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