Tunable Electronic and Magnetic Properties of Functionalized (H, Cl, OH) Germanium Carbide Sheet

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

1 Scopus Citations
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Author(s)

  • Aijiang Lu
  • Ruikuan Xie
  • Huaizhong Xing
  • Yijie Zeng
  • Yan Huang
  • Xiaoshuang Chen

Detail(s)

Original languageEnglish
Pages (from-to)3927-3933
Journal / PublicationJournal of Nanoscience and Nanotechnology
Volume17
Issue number6
Online published1 Jun 2017
Publication statusPublished - Jun 2017
Externally publishedYes

Abstract

The intriguing magnetic and electronic properties of the semihydrogenated, semichlorinated and semihydroxylated GeC sheet are investigated by means of the first principle calculations. It is found that GeC sheet behaves a ferromagnetic semiconductor at room temperature when Ge atoms are hydrogenated, while an antiferromagnetic semiconductor when H atoms are absorbed on C atoms. Energy calculation shows the former a more stable configuration. In addition, using chlorine atom and hydroxyl group to substitute the hydrogen atom, it is found that the semihydrogenated GeC sheet evolves from semiconducting to half-metallic with the increase of the chlorine substituted concentration, while it evolves from ferromagnetic state semiconductor to antiferromagnetic semiconductor with the increase of the hydroxyl substituted concentration. Such a result suggests the potential applications of semihydrogenated GeC in the magnetic electronics.

Research Area(s)

  • GeC Sheet, Ferromagnetic, Semihydrogenation, Semichlorination, Semihydroxylation, INITIO MOLECULAR-DYNAMICS, AUGMENTED-WAVE METHOD, GRAPHENE, SILICON, 1ST-PRINCIPLES, SILOXENE, METALS

Citation Format(s)

Tunable Electronic and Magnetic Properties of Functionalized (H, Cl, OH) Germanium Carbide Sheet. / Li, Song; Lu, Aijiang; Xie, Ruikuan; Xing, Huaizhong; Zeng, Yijie; Huang, Yan; Chen, Xiaoshuang.

In: Journal of Nanoscience and Nanotechnology, Vol. 17, No. 6, 06.2017, p. 3927-3933.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review