材料科学
相(物质)
磁铁
矫顽力
集群扩展
星团(航天器)
氧气
结晶学
凝聚态物理
热力学
化学
计算机科学
量子力学
物理
有机化学
程序设计语言
作者
Ying Chen,S. Hirosawa,Shuichi Iwata
出处
期刊:Materials Science Forum
日期:2010-06-30
卷期号:654-656: 1674-1677
被引量:5
标识
DOI:10.4028/www.scientific.net/msf.654-656.1674
摘要
The NdOx phase formed at the Nd/Nd-Fe-B interface in Nd-sputtered Nd-Fe-B sintered magnets is paid rather attention recently due to its important role in coercivity generation of surface Nd-Fe-B grains. Its crystal structures have been reported to vary with the change of the oxygen concentration, and the disorder fcc phase derived from Nd2O3-C-type structure to be the main form of existence. To understand the formation mechanism of this fcc-NdOx interfacial phase, the stability of all oxygen concentration range of Nd-O system has been investigated from the first principles. Based on LSDA+U calculations for selected ordered phases at various oxygen concentration in Nd-O, the Cluster Expansion Method (CEM) is applied to evaluate the formation energy, density of states and other properties of disorder phase.
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