Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1591281 | Solid State Communications | 2016 | 6 Pages |
Abstract
The surface functionalization and strain effects on the structural, electronic, and magnetic properties of full-/half-passivated germanenes are investigated systematically by the first-principle calculations within density functional theory. It is found that the germanenes with full-passivation have different band structures. i.e., the band-gap of GeH is larger than that of GeF and GeCl. Interestingly, when surface passivation and strain are utilized, germanenes go through a transformation from semiconductor to semi-metal. Moreover, germanenes with half-passivation present different magnetic characters, i.e,. Ge2H is a ferromagnetic semiconductor, while Ge2F and Ge2Cl are anti-ferromagnetic semiconductors. The stability of magnetic coupling of Ge2Xs can be modulated by external strain. Our calculations indicate that the electronic and magnetic properties of passivated-germanenes strongly depend on their surface functionalization and strain effects.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Pei Liang, Yang Liu, Song Xing, Haibo Shu, Bo Tai,