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      Realization of a p-n junction in a single layer boron-phosphide

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      Author(s)
      Çakır, D.
      Kecik, D.
      Sahin, H.
      Durgun, Engin
      Peeters, F. M.
      Date
      2015
      Source Title
      Physical Chemistry Chemical Physics
      Print ISSN
      1463-9076
      Publisher
      Royal Society of Chemistry
      Volume
      17
      Issue
      19
      Pages
      13013 - 13020
      Language
      English
      Type
      Article
      Item Usage Stats
      209
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      345
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      Abstract
      Two-dimensional (2D) materials have attracted growing interest due to their potential use in the next generation of nanoelectronic and optoelectronic applications. On the basis of first-principles calculations based on density functional theory, we first investigate the electronic and mechanical properties of single layer boron phosphide (h-BP). Our calculations show that h-BP is a mechanically stable 2D material with a direct band gap of 0.9 eV at the K-point, promising for both electronic and optoelectronic applications. We next investigate the electron transport properties of a p-n junction constructed from single layer boron phosphide (h-BP) using the non-equilibrium Green's function formalism. The n- and p-type doping of BP are achieved by substitutional doping of B with C and P with Si, respectively. C(Si) substitutional doping creates donor (acceptor) states close to the conduction (valence) band edge of BP, which are essential to construct an efficient p-n junction. By modifying the structure and doping concentration, it is possible to tune the electronic and transport properties of the p-n junction which exhibits not only diode characteristics with a large current rectification but also negative differential resistance (NDR). The degree of NDR can be easily tuned via device engineering.
      Keywords
      Monolayer
      2D
      P–n junction
      Nanoscale
      NDR
      Permalink
      http://hdl.handle.net/11693/21926
      Published Version (Please cite this version)
      http://dx.doi.org/10.1039/c5cp00414d
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      • Institute of Materials Science and Nanotechnology (UNAM) 2098
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