Article

Evidencing the existence of exciting half-metallicity in two-dimensional TiCl3 and VCl3 sheets

Yungang ZhouSchool of Physical Electronics, University of Electronic Science and Technology of China, Chengdu, 610054, P.R. ChinaHai‐Feng LüSchool of Physical Electronics, University of Electronic Science and Technology of China, Chengdu, 610054, P.R. ChinaXiaotao ZuInstitute of Fundamental and Frontier Sciences, University of Electronic Science and Technology of China, Chengdu, 610054, P. R. ChinaFei GaoDepartment of Nuclear Engineering and Radiological Sciences, University of Michigan, Michigan, 48109, USA

2016en

ABI

Abstract

Half-metallicity combined with wide half-metallic gap, unique ferromagnetic character and high Curie temperature has become a key driving force to develop next-generation spintronic devices. In previous studies, such half-metallicity always occurred under certain manipulation. Here, we, via examining a series of two-dimensional transition-metal trichlorides, evidenced that TiCl3 and VCl3 sheets could display exciting half-metallicity without involving any external modification. Calculated half-metallic band-gaps for TiCl3 and VCl3 sheets are about 0.60 and 1.10 eV, respectively. Magnetic coupled calculation shows that both sheets favor the ferromagnetic order with a substantial collective character. Estimated Curie temperatures can be up to 376 and 425 K for TiCl3 and VCl3 sheets, respectively. All of these results successfully disclose two new promising two-dimensional half-metallic materials toward the application of next-generation paper-like spintronic devices.

Identifiers

DOI: 10.1038/srep19407

Citations and references

Cited by 30 references

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