Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems

Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems

Abstract Half-metallicity rising from the s/p electrons has been one of the hot topics in spintronics. Based on the first-principles of calculation, we explore the magnetic properties of the B-doped graphitic heptazine carbon nitride (gh-C3N4) system. Ferromagnetism is observed in the B-doped gh-C3N...

Full description

Bibliographic Details
Main Authors: Hailin Yu, Xuefan Jiang, Zhenguang Shao, Jinfu Feng, Xifeng Yang, Yushen Liu
Format: Article
Language:English
Published: SpringerOpen 2018-02-01
Series:Nanoscale Research Letters
Subjects:
Half-metallicity
Doped gh-C3N4
Strain effects
First-principles methods
Online Access:http://link.springer.com/article/10.1186/s11671-018-2473-x
Description
Summary:Abstract Half-metallicity rising from the s/p electrons has been one of the hot topics in spintronics. Based on the first-principles of calculation, we explore the magnetic properties of the B-doped graphitic heptazine carbon nitride (gh-C3N4) system. Ferromagnetism is observed in the B-doped gh-C3N4 system. Interestingly, its ground state phase (BC1@gh-C3N4) presents a strong half-metal property. Furthermore, the half-metallicity in BC1@gh-C3N4 can sustain up to 5% compressive strain and 1.5% tensile strain. It will lose its half-metallicity, however, when the doping concentration is below 6.25%. Our results show that such a metal-free half-metallic system has promising spintronic applications.
ISSN:1931-7573
1556-276X

Similar Items