Role of nitrogen vacancies in cerium doped aluminum nitride

被引：16

作者：

Majid, Abdul ^{[1
,3
]}

Asghar, Farzana ^{[1
]}

Rana, Usman Ali ^{[2
]}

Khan, Salah Ud-Din ^{[2
]}

Yoshiya, Masato ^{[3
]}

Hussain, Fayyaz ^{[4
]}

Ahmad, Iftikhar ^{[5
]}

机构：

[1] Univ Gujrat, Dept Phys, Gujrat, Pakistan

[2] King Saud Univ, Coll Engn, Sustainable Energy Technol Ctr, POB 800, Riyadh 11421, Saudi Arabia

[3] Osaka Univ, Dept Adapt Machine Syst, Osaka, Japan

[4] Bahauddin Zakarya Univ, Dept Phys, Multan, Pakistan

[5] Univ Gujrat, Dept Math, Gujrat, Pakistan

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2016年 / 412卷

关键词：

Aluminum nitride; Nitrogen vacancy; Density functional theory; ELECTRONIC-PROPERTIES; GAN;

D O I：

10.1016/j.jmmm.2016.03.065

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In this report, a systematic density functional theory based investigation to explain the character of nitrogen vacancies in structural, electronic and magnetic properties of Ce doped wurtzite AlN is presented. The work demonstrates the modification in the properties of the material upon doping thereby addressing dopant concentration and inter-dopant distance. The presence of anionic vacancy reveals spin polarization and introduction of magnetic character in the structure. The doping produced the magnetic character in the material which was of ferromagnetic nature in most cases except the situation when dopants separated by largest distance of 5.873 angstrom. The calculated values of total energy and exchange energy suggested the configuration including Ce-Al-V-N complex is more favorable and exhibits ferromagnetic ordering. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：49 / 54

页数：6

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