Electronic Structure and 3d-4f Exchange Interactions in Zircon-type RCrO4 Oxides (R=Dy, Ho and Gd)

被引：1

作者：

Ray, Avijeet ^{[1
]}

Maitra, Tulika ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Phys, Roorkee 247667, Uttarakhand, India

来源：

PROCEEDINGS OF THE 59TH DAE SOLID STATE PHYSICS SYMPOSIUM 2014 (SOLID STATE PHYSICS) | 2015年 / 1665卷

关键词：

DFT; Zircon phase; GGA plus U;

D O I：

10.1063/1.4917997

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Using first principles density functional theory (DFT) calculations within GGA and GGA+U approximations we studied both ferromagnetic (FM) and antiferromagnetic (AFM) phases of zircon type RCrO4 (R=Dy, Ho, Gd) oxides. We estimated and compared the 3d-4f exchange interaction strengths J between the nearest neighbor R3+ and Cr5+ ions for R=Dy, Gd. Our results predict that DyCrO4, GdCrO4 and HoCrO4 have ferromagnetic ground state which is consistent with experimental observations.

引用

页数：3

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