4.5 Article

Ferromagnetic half-metal properties of two dimensional vertical tellurene/VS2 heterostructure: A first-principles study

期刊

COMPUTATIONAL MATERIALS SCIENCE
卷 171, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.commatsci.2019.109215

关键词

Tellurene/VS2 heterostructure; Ferromagnetic half-metal property; Electronic properties

资金

  1. Key Projects of NSFC-Henan Joint Fund [U1704255, U1804165]
  2. National Natural Science Foundation of China [11804081, 11804082]
  3. China Postdoctoral Science Foundation [2019M652425]
  4. Natural Science Foundation of Henan Province [182300410288]
  5. Fundamental Research Funds for the Universities of Henan Province [NSFRF140132]
  6. Key Research Project for the Universities of Henan Province [15A416007, 16A140009, 19A140009]
  7. Program for Innovative Research Team of Henan Province [CXTD2017089]
  8. Henan Polytechnic University [T2016-2]
  9. Doctoral Foundation of Henan Polytechnic University [B2015-46, B2018-37, B2018-38]
  10. Open Project of Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province [LRME201601]
  11. High-performance Grid Computing Platform of Henan Polytechnic University

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Vertical integration of two-dimensional (2D) materials has recently emerged as an exciting method for the design of electronic and optoelectronic devices. Searching for ferromagnetic (FM) Van der Waals (vdW) heterostructures with high Curie temperature and multiple-band alignments is crucial to develop next-generation spintronic and optoelectronic nanodevices. In this work, first-principles calculations are employed to explore the structural and electronic properties of vertical tellurene/VS2 vdW heterostructure, and the FM vdW heterostructure is found in the tellurene/VS2 heterobilayer with Curie temperature of 150 K and type-III alignment. The ferromagnetic half-metal properties of two dimensional vertical tellurene/VS2 heterostructure provide the possibilities of realizing the high-temperature FM vdW heterostructures in practice.

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