Edge State-Induced Novel Electronic Structures and Magnetic Properties of Zigzag AlN/SiC Nanoribbons

被引：0

作者：

Du, Xiu-Juan ^{[1
]}

Zhang, Zheng-Wei ^{[2
]}

Duan, Ying-Ni ^{[3
]}

Song, Yu-Ling ^{[4
]}

机构：

[1] Taiyuan Univ Sci & Technol, Sch Appl Sci, Taiyuan 030024, Shanxi, Peoples R China

[2] Chinese Acad Sci, Chem & Chem Engn Lab, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Xinjiang, Peoples R China

[3] Xinjiang Med Univ, Dept Med Engn & Technol, Urumqi 830011, Xinjiang, Peoples R China

[4] Nanyang Normal Univ, Coll Phys & Elect Engn, Nanyang 473061, Henan, Peoples R China

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2015年 / 28卷 / 10期

关键词：

AlN/SiC nanoribbon; Electronic structure; Magnetic properties; First-principle study; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ALN NANORIBBON; 1ST-PRINCIPLES; NANOBELTS; METALS;

D O I：

10.1007/s10948-015-3131-5

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Using first-principle calculations based on density functional theory, we investigate the electronic structures and magnetic properties of zigzag AlN/SiC nanoribbons. Bare N edge can cause the redistribution of the magnetic moment of the whole nanoribbon, whereas bare Si edge only has a certain effect on the magnetic moment of Si-C chain. The magnetic moment of the nanoribbon with bare Si and N edges is slightly larger than the summation of the magnetic moments of the nanoribbon with bare Si edge and nanoribbon with bare N edge. Bare N edge has a main contribution on the band gap of the corresponding nanoribbons.

引用

页码：3053 / 3057

页数：5

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