Structure and Curie temperature of Y2Fe17-xCrx

被引：1

作者：

Hao, SQ ^{[1
]}

Chen, NX

机构：

[1] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China

[2] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China

来源：

SCIENCE IN CHINA SERIES G-PHYSICS MECHANICS & ASTRONOMY | 2003年 / 46卷 / 04期

基金：

中国国家自然科学基金;

关键词：

structure determination; site preference; interatomic potentials; Curie temperature; lattice inversion;

D O I：

10.1360/02yw0018

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The structures of Y2Fe17-xCrx are simulated by the ab initio potentials. The site preference of Cr atom in Y2Fe17 is evaluated and the order is determined as 4f, 12j, which is close to the experimental result. Based on the site preference behavior, the calculated parameters and the atom sites of Y-Fe-Cr system are studied. The result corresponds well to observed data. Further, the DOS of the relaxed structures are calculated and the variation in Curie temperature is explained qualitatively by the spin-fluctuation theory.

引用

页码：356 / 361

页数：6

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