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Title: Novel spin-electronic properties of BC{sub 7} sheets induced by strain

Based on first-principles calculations, the authors have investigated the electronic and magnetic properties of BC{sub 7} sheets with different planar strains. It is found that metal–semiconductor transition appears at the biaxial strain of 15.5%, and the sheets are characteristic of spin-polarized semiconductor with a zero band-gap. The band-gap rapidly increases with strain, and reaches a maximum value of 0.60 eV at the strain of 20%. Subsequently, the band-gap decreases until the strain reaches up to 22% and shows a semiconductor-half metal transformation. It will further present metal properties until the strain is up to the maximum value of 35%. The magnetic moments also have some changes induced by biaxial strain. The numerical analysis shows that the two-dimensional distortions have great influences on the magnetic moments. The novel spin-electronic properties make BC{sub 7} sheets have potential applications in future spintronic nanodevices.
Authors:
; ; ; ;  [1]
  1. Computational Physics Laboratory, Institute of Opto-Electronic Information Science and Technology, Yantai University, Yantai 264005 (China)
Publication Date:
OSTI Identifier:
22317935
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films; Journal Volume: 32; Journal Issue: 6; Other Information: (c) 2014 American Vacuum Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 42 ENGINEERING; ELECTRICAL PROPERTIES; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; METALS; NUMERICAL ANALYSIS; SEMICONDUCTOR MATERIALS; SPIN; SPIN ORIENTATION; STRAINS