Electronic structure and magnetic properties of (Fe,Co)-codoped ZnO: Theory and experiment

被引：33

作者：

Karmakar, Debjani ^{[1
]}

Rao, T. V. Chandrasekhar ^{[1
]}

Yakhmi, J. V. ^{[1
]}

Yaresko, A. ^{[2
]}

Antonov, V. N. ^{[2
]}

Kadam, R. M. ^{[3
]}

Mandal, S. K. ^{[4
]}

Adhikari, R. ^{[4
]}

Das, A. K. ^{[4
]}

Nath, T. K. ^{[4
]}

Ganguli, Nirmal ^{[5
]}

Dasgupta, I. ^{[5
]}

Das, G. P. ^{[6
]}

机构：

[1] Bhabha Atom Res Ctr, Tech Phys Div, Mumbai 400085, Maharashtra, India

[2] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

[3] Bhabha Atom Res Ctr, Div Radiochem, Mumbai 400085, Maharashtra, India

[4] Indian Inst Technol, Dept Phys & Meteorol, Kharagpur 721302, W Bengal, India

[5] Indian Assoc Cultivat Sci, Dept Solid State Phys, Kolkata 700032, India

[6] Indian Assoc Cultivat Sci, Dept Mat Sci, Kolkata 700032, India

来源：

PHYSICAL REVIEW B | 2010年 / 81卷 / 18期

关键词：

CO NANOPARTICLES; 1ST-PRINCIPLES; ENERGY; FILMS;

D O I：

10.1103/PhysRevB.81.184421

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We investigate the magnetic behavior of (Fe,Co) codoped ZnO both theoretically and experimentally. The electronic structure calculation for both bulk and cluster systems of codoped ZnO, within the framework of DFT+U, stabilizes in a ferrimagnetic configuration for nearest-neighbor position of the codopants. The exchange properties of the codoped system are dependent on the distance and concentration of the dopants. The theoretical calculations also reveal the importance of defect states in mediating the long-range magnetic order in such systems. Experimentally obtained magnetic properties for several ranges of doping suggest a competitive mixing of ferrimagnetic and ferromagnetic behaviors within the sample. The segregated phase for higher percentage of doping has also been identified.

引用

页数：13

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