Interface effect between blue phosphorus and metals

Si Cong Zhu, Tie Yi Hu, Cho Tung Yip, Kai Lun Yao, Chi Hang Lam

Research output: Journal article publicationJournal articleAcademic researchpeer-review

4 Citations (Scopus)


The contacted properties of metal substrates with single layer (monolayer) blue phosphorus are calculated by first principles. We analyze the charge transfer, atomic orbital overlap, electronic properties and potential barrier at the interface of metal contacted blue phosphorene (BuleP) to understand how to effectively inject electrons from the metal into the contacted blue phosphorus. We inquire into interfacial effect of blue phosphorene directly in contact with five representative metallic substrates – Au (111), Ag(111), Al(111), Co(111) and Sc(0001), which are having minimal lattice mismatch with the BlueP. We find that the contact properties of these five metals are ohmic contact and schottky contact. Of the five different contact metals, Co-BlueP heterojunction has the best electrical conductivity. The lower SBH in the Al contact can also lead to a good substrate for a Schottky contact for the heterojunction. These results can provide guidance for the future design of BlueP-based electronic devices and for the exploration of new low-dimensional semiconductor transport processes.

Original languageEnglish
Article number126554
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Issue number23
Publication statusPublished - 17 Aug 2020


  • Blue phosphorene
  • Electronics
  • First principles
  • Heterojunction
  • Schottky contact

ASJC Scopus subject areas

  • General Physics and Astronomy


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