Transition-metal aluminide formation:: The 4d aluminides -: art. no. 014103

被引：21
|
作者：
Watson, RE [1 ]
Weinert, M
Alatalo, M
机构：
[1] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA
[2] Helsinki Inst Phys, Espoo 02015, Finland
[3] Phys Lab, Espoo 02015, Finland
来源：
PHYSICAL REVIEW B | 2002年 / 65卷 / 01期
关键词：
D O I：
10.1103/PhysRevB.65.014103
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The heats of formation for ordered binary 4d transition-metal (Y and Nb-Pd) aluminides are calculated from first-principles for different compositions and for a number of competing crystal structures. The calculated heats for these aluminides are typically within similar to0.01 eV/atom of the calorimetric values, faithfully tracing the trends in alloying for diverse crystalline packings, with the maximum heat of formation associated with RhAl. Issues of the stability versus the metastability of several reported phases are addressed.
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页码：1 / 7
页数：7
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