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Strain controlled electronic and transport anisotropies in two-dimensional borophene sheets

Shukla, Vivekanand (author)
Uppsala universitet,Materialteori
Grigoriev, Anton (author)
Uppsala universitet,Materialteori
Jena, Naresh K. (author)
Uppsala universitet,Materialteori
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Ahuja, Rajeev (author)
Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori,Royal Inst Technol KTH, Dept Mat & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden
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 (creator_code:org_t)
2018
2018
English.
In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry. - 1463-9076 .- 1463-9084. ; 20:35, s. 22952-22960
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • Two recent reports on realization of an elemental 2D analogue of graphene:borophene (Science, 2015, 350, 1513-1516; Nat. Chem., 2016, 8, 563-568) focus on the inherent anisotropy and directional dependence of the electronic properties of borophene polymorphs. Achieving stable 2D borophene structures may lead to some degree of strain in the system because of the substrate-lattice mismatch. We use first principles density functional theory (DFT) calculations to study the structural, electronic and transport properties of (12) and -borophene polymorphs. We verified the directional dependency and found the tunable anisotropic behavior of the transport properties in these two polymorphs. We find that strain as low as 6% brings remarkable changes in the properties of these two structures. We further investigate current-voltage (I-V) characteristics in the low bias regime after applying a strain to see how the anisotropy of the current is affected. Such observations like the sizeable tuning of transport and I-V characteristics at the expense of minimal strain suggest the suitability of 2D borophene for futuristic device applications.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
NATURVETENSKAP  -- Kemi -- Materialkemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Materials Chemistry (hsv//eng)

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