Electronic structure of the Ti1-xScxNiSn and Zr1-xScxNiSn solid solutions

被引:26
作者
Romaka, L
Stadnyk, Y
Horyn, A
Shelyapina, MG
Kasperovich, VS
Fruchart, D
Hlil, EK
Wolfers, P
机构
[1] CNRS, Lab Cristallog, F-38042 Grenoble, France
[2] Franko Lviv Natl Univ, Dept Chem 1, UA-79005 Lvov, Ukraine
[3] St Petersburg State Univ, IV Fock Inst Phys, St Petersburg 198504, Russia
关键词
intermetallics; crystal structure; thermoelectric properties; electronic structure calculations;
D O I
10.1016/j.jallcom.2004.12.034
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The electronic properties of the Ti1-xScxNiSn and Zr1-xScxNiSn solid solutions were investigated using the Korringa-Kohn-Rostoker Green's function method within the coherent potential approximation. The calculations confirm the metallic type conductivity of the Sc content compounds as evidenced from electrical resistivity measurements and show that the main source of the electron conductivity originates from the d-electrons of Ti(Zr) and Sc. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码:64 / 68
页数:5
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