Electron-transport properties of few-layer black phosphorus

Yuehua Xu, Jun Dai, Xiao Cheng Zeng

Research output: Contribution to journalArticle

51 Scopus citations


We perform the first-principles computational study of the effect of number of stacking layers and stacking style of the few-layer black phosphorus (BPs) on the electronic properties, including transport gap, current-voltage (i-v) relation, and differential conductance. Our computation is based on the nonequilibrium Greens function approach combined with density functional theory calculations. Specifically, we compute electron-transport properties of monolayer BP, bilayer BP, and trilayer BP as well as bilayer BPs with AB-, AA-, or AC-stacking. We find that the stacking number has greater influence on the transport gap than the stacking type. Conversely, the stacking type has greater influence on i-v curve and differential conductance than on the transport gap. This study offers useful guidance for determining the number of stacking layers and the stacking style of few-layer BP sheets in future experimental measurements and for potential applications in nanoelectronic devices.

Original languageEnglish (US)
Pages (from-to)1996-2002
Number of pages7
JournalJournal of Physical Chemistry Letters
Issue number11
StatePublished - Jun 4 2015


  • differential conductance
  • interlayer interaction
  • iv curve
  • transmission spectra
  • two-probe configuration

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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