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Title: Hydrogenated arsenenes as planar magnet and Dirac material

Arsenene and antimonene are predicted to have 2.49 and 2.28‚ÄČeV band gaps, which have aroused intense interest in the two-dimensional (2D) semiconductors for nanoelectronic and optoelectronic devices. Here, the hydrogenated arsenenes are reported to be planar magnet and 2D Dirac materials based on comprehensive first-principles calculations. The semi-hydrogenated (SH) arsenene is found to be a quasi-planar magnet, while the fully hydrogenated (FH) arsenene is a planar Dirac material. The buckling height of pristine arsenene is greatly decreased by the hydrogenation, resulting in a planar and relatively low-mass-density sheet. The electronic structures of arsenene are also evidently altered after hydrogenating from wide-band-gap semiconductor to metallic material for SH arsenene, and then to Dirac material for FH arsenene. The SH arsenene has an obvious magnetism, mainly contributed by the p orbital of the unsaturated As atom. Such magnetic and Dirac materials modified by hydrogenation of arsenene may have potential applications in future optoelectronic and spintronic devices.
Authors:
; ;  [1] ;  [1] ;  [2] ;  [3]
  1. Institute of Optoelectronics and Nanomaterials, Herbert Gleiter Institute of Nanoscience, College of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)
  2. (China)
  3. Beijing Computational Science Research Center, Beijing 100084 (China)
Publication Date:
OSTI Identifier:
22483179
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 107; Journal Issue: 2; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BUCKLING; ELECTRONIC STRUCTURE; EV RANGE 01-10; HEIGHT; HYDROGENATION; MAGNETS; OPTOELECTRONIC DEVICES; SEMICONDUCTOR MATERIALS; TWO-DIMENSIONAL SYSTEMS