Nanotubes based on monolayer blue phosphorus

Enrique Montes Muñoz, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

We demonstrate structural stability of monolayer zigzag and armchair blue phosphorus nanotubes by means of molecular dynamics simulations. The vibrational spectrum and electronic band structure are determined and analyzed as functions of the tube diameter and axial strain. The nanotubes are found to be semiconductors with a sensitive indirect band gap that allows flexible tuning.
Original languageEnglish (US)
JournalPhysical Review B
Volume94
Issue number3
DOIs
StatePublished - Jul 8 2016

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