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Electronic Transport and Thermodynamic Properties of Binary Liquid Alloy: Ab Initio Approach

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Abstract

In this article, the Harrison’s first principle pseudopotential technique has been employed to study the electrical resistivity and other physical properties (i.e., the Knight shift, Fermi energy, and electronic density of states) of Zintl liquid alloy. Because there is a possibility of formation of a compound in the system, as inferred from the graph of a partial structure factor of unlike pairs of atom, we also have computed the thermodynamic as well as the electron transport properties of this system, taking the complex formation model into account. Useful interpretation based on inferences has been withdrawn.

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Acknowledgments

The financial support rendered by the DST, CSIR, UGC, New Delhi, and DAE-BRNS, Mumbai, is gratefully acknowledged.

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Authors and Affiliations

  1. Post Graduate Department of Physics, Andhra Loyola College, Vijayawada, 520008, A. P., India

    Ashwani Kumar (Research Associate) & Durga P. Ojha (Professor and Head)

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  1. Ashwani Kumar
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  2. Durga P. Ojha
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Correspondence to Ashwani Kumar.

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Manuscript submitted December 26, 2009.

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Kumar, A., Ojha, D.P. Electronic Transport and Thermodynamic Properties of Binary Liquid Alloy: Ab Initio Approach. Metall Mater Trans B 41, 574–582 (2010). https://doi.org/10.1007/s11663-010-9356-6

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  • DOI: https://doi.org/10.1007/s11663-010-9356-6

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