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

被引：1
|
作者：
Kumar, Ashwani [1 ]
Ojha, Durga P. [1 ]
机构：
[1] Andhra Loyola Coll, Post Grad Dept Phys, Vijayawada 520008, AP, India
来源：
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE | 2010年 / 41卷 / 03期
关键词：
ELECTRICAL PROPERTIES; SIMPLE METALS; CONCENTRATION FLUCTUATIONS; COMPLEX-FORMATION; FORMATION MODEL; ION BATTERIES; MOLTEN ALLOYS; KNIGHT-SHIFT; LITHIUM; RESISTIVITY;
D O I：
10.1007/s11663-010-9356-6
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
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 Useful interpretation based on inferences has been withdrawn.
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收藏
页码：574 / 582
页数：9
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