Structure and properties of spinel Fe3N4 and comparison to zinc blende FeN

被引：29

作者：

Ching, WY ^{[1
]}

Xu, YN ^{[1
]}

Rulis, P ^{[1
]}

机构：

[1] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA

来源：

APPLIED PHYSICS LETTERS | 2002年 / 80卷 / 16期

关键词：

D O I：

10.1063/1.1473691

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structure and properties of iron nitride with a cubic spinel structure are predicted. Spin-polarized calculations show it to be weakly ferromagnetic with a total magnetic moment of 3.26 mu(B) per formula unit. Total energy versus volume calculations yield a large bulk modulus of 304 GPa, which is attributed to the strong covalent bonding between Fe and N. These results differ significantly from those of stoichiometric FeN in a zinc blende structure. (C) 2002 American Institute of Physics.

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页码：2904 / 2906

页数：3

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