A theoretical study of blue phosphorene nanoribbons based on first-principles calculations

Abstract

Based on first-principles calculations, we present a quantum confinement mechanism for the band gaps of blue phosphorene nanoribbons (BPNRs) as a function of their widths. The BPNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen saturation. Both the two types of nanoribbons are shown to be indirect semiconductors. An enhanced energy gap of around 1 eV can be realized when the width decreases to about 10 ang. The underlying physics is ascribed to the quantum confinement. More importantly, the quantum confinement parameters are obtained by fitting the calculated gaps with respect to their widths. The results show that the quantum confinement in armchair nanoribbons is stronger than that in zigzag ones. This study provides an efficient approach to tune the energy gap in BPNRs.

5 pages, 8 figures

References in corpus (6)

• The electronic properties of graphene
• The Raman Fingerprint of Graphene
• Universal Dynamic Conductivity and Quantized Visible Opacity of Suspended Graphene
• Energy Gaps in Graphene Nanoribbons
• Semiconducting layered blue phosphorus: A computational study
• Unusual Scaling Laws of the Band Gap and Optical Absorption of Phosphorene Nanoribbons

Cited by in corpus (2)

• Manifestation of unexpected semiconducting properties in few-layer orthorhombic arsenene
• Twisted bilayer blue phosphorene: A direct band gap semiconductor