Electron-transport properties of few-layer black phosphorus

Yuehua Xu, Jun Dai, Xiao C Zeng

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

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
Volume6
Issue number11
DOIs
StatePublished - Jun 4 2015

Fingerprint

Electron transport properties
Phosphorus
phosphorus
transport properties
electrons
Nanoelectronics
Green's function
Electronic properties
Density functional theory
Monolayers
alternating current
Green's functions
density functional theory
Electric potential
electric potential
curves
electronics

Keywords

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

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Electron-transport properties of few-layer black phosphorus. / Xu, Yuehua; Dai, Jun; Zeng, Xiao C.

In: Journal of Physical Chemistry Letters, Vol. 6, No. 11, 04.06.2015, p. 1996-2002.

Research output: Contribution to journalArticle

@article{21623e244e404d7287f89e66c5fdc6a7,
title = "Electron-transport properties of few-layer black phosphorus",
abstract = "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.",
keywords = "differential conductance, interlayer interaction, iv curve, transmission spectra, two-probe configuration",
author = "Yuehua Xu and Jun Dai and Zeng, {Xiao C}",
year = "2015",
month = "6",
day = "4",
doi = "10.1021/acs.jpclett.5b00510",
language = "English (US)",
volume = "6",
pages = "1996--2002",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "11",

}

TY - JOUR

T1 - Electron-transport properties of few-layer black phosphorus

AU - Xu, Yuehua

AU - Dai, Jun

AU - Zeng, Xiao C

PY - 2015/6/4

Y1 - 2015/6/4

N2 - 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.

AB - 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.

KW - differential conductance

KW - interlayer interaction

KW - iv curve

KW - transmission spectra

KW - two-probe configuration

UR - http://www.scopus.com/inward/record.url?scp=84930639241&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84930639241&partnerID=8YFLogxK

U2 - 10.1021/acs.jpclett.5b00510

DO - 10.1021/acs.jpclett.5b00510

M3 - Article

VL - 6

SP - 1996

EP - 2002

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 11

ER -