A comparative study on magnetism in Zn-doped AlN and GaN from first-principles

Liang Xu, Lingling Wang, Wenzhi Xiao, Gang Xiao, Weiqing Huang

doi:10.1063/1.4895057

A comparative study on magnetism in Zn-doped AlN and GaN from first-principles

DOI PDF 被引用文献1件

Liang Xu

Hunan University 1 School of Physics and Microelectronics, , Changsha 410082, China
Lingling Wang

Hunan University 1 School of Physics and Microelectronics, , Changsha 410082, China
Wenzhi Xiao

Hunan Institute of Engineering 2 Department of Physics and Mathematics, , Xiangtan 411104, China
Gang Xiao

Hunan Institute of Engineering 2 Department of Physics and Mathematics, , Xiangtan 411104, China
Weiqing Huang

Hunan University 1 School of Physics and Microelectronics, , Changsha 410082, China

書誌事項

公開日: 2014-09-10

DOI

10.1063/1.4895057

公開者: AIP Publishing

この論文をさがす

CiNii Books

説明

<jats:p>First-principles calculations have been used to comparatively investigate electronic and magnetic properties of Zn-doped AlN and GaN. A total magnetic moment of 1.0 μB induced by Zn is found in AlN, but not in GaN. Analyses show that the origin of spontaneous polarization not only depend on the localized atomic orbitals of N and sufficient hole concentration, but also the relative intensity of the covalency of matrix. The relatively stronger covalent character of GaN with respect to AlN impedes forming local magnetic moment in GaN matrix. Our study offers a fresh sight of spontaneous spin polarization in d0 magnetism. The much stronger ferromagnetic coupling in c-plane of AlN means that it is feasible to realize long-range ferromagnetic order via monolayer delta-doping. This can apply to other wide band-gap semiconductors in wurtzite structure.</jats:p>