ELECTRON DOPING EFFECTS ON ELECTRONIC AND MAGNETIC PROPERTIES IN Sr2FeReO6

被引：6

作者：

Li, Q. F. ^{[1
]}

Wang, L. ^{[1
]}

Su, J. L. ^{[2
]}

机构：

[1] Nanjing Univ Informat Sci & Technol, Dept Phys, Nanjing 210044, Peoples R China

[2] Nanjing Normal Univ, Dept Phys, Nanjing 210097, Peoples R China

来源：

MODERN PHYSICS LETTERS B | 2011年 / 25卷 / 29期

基金：

中国国家自然科学基金;

关键词：

Half-metal; doping effects; electronic structure; magnetic properties; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; DOUBLE PEROVSKITES; AB-INITIO; TEMPERATURE MAGNETORESISTANCE; BASIS-SET; OXIDE; SR; BA; CA;

D O I：

10.1142/S021798491102756X

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We have investigated the electronic and magnetic properties of electron-doped Sr2-xLaxFeReO6 (x = 0.0, 0.25, 0.5) using first-principles density functional theory within the generalized gradient approximation (GGA) and GGA + U schemes. Our results reveal that the symmetry of the La-doped compounds is decreased from tetragonal I4/m for perfect sample to monoclinic P2(1)/n. With increasing La content the absolute magnetic moment of the Re site increases distinctly and the doped electrons are considered to occupy mainly the down-spin Re 5d band from the band calculation. Electronic doping is found to enhance the Curie temperature (T-c) and stabilize the ferromagnetic half-metallic ground states of Sr2FeReO6. And it is found that the increase of T-c is mainly caused by the increase of ferromagnetic interaction between the Fe-O-Fe.

引用

页码：2259 / 2267

页数：9

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