Electronic transport in organometallic perovskite CH3NH3PbI3

The role of organic cation orientations

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of methylammonium lead-iodide perovskite CH3NH3PbI3. Electronic transport in homogeneous ferroelectric and antiferroelectric phases, both of which do not contain any charged domain walls, is quite similar. The presence of charged domain wall drastically (by about an order of magnitude) enhances the electronic transport in the lateral direction. The increase of the transmission originates from the smaller variation of the electrostatic potential profile along the charged domain walls. This fact may provide a tool for tuning transport properties of such hybrid materials by manipulating molecular cations having dipole moment.

Original languageEnglish
Article number053901
JournalApplied Physics Letters
Volume108
Issue number5
DOIs
Publication statusPublished - 1 Feb 2016

Fingerprint

domain wall
cations
transport properties
electronics
iodides
dipole moments
Green's functions
tuning
electrostatics
density functional theory
formalism
profiles

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

@article{cc59b97c5e8841eab1d3c061f76931cf,
title = "Electronic transport in organometallic perovskite CH3NH3PbI3: The role of organic cation orientations",
abstract = "Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of methylammonium lead-iodide perovskite CH3NH3PbI3. Electronic transport in homogeneous ferroelectric and antiferroelectric phases, both of which do not contain any charged domain walls, is quite similar. The presence of charged domain wall drastically (by about an order of magnitude) enhances the electronic transport in the lateral direction. The increase of the transmission originates from the smaller variation of the electrostatic potential profile along the charged domain walls. This fact may provide a tool for tuning transport properties of such hybrid materials by manipulating molecular cations having dipole moment.",
author = "Golibjon Berdiyorov and Fadwa El-Mellouhi and Mohamed Madjet and Fahhad Alharbi and Sergey Rashkeev",
year = "2016",
month = "2",
day = "1",
doi = "10.1063/1.4941296",
language = "English",
volume = "108",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics Publising LLC",
number = "5",

}

TY - JOUR

T1 - Electronic transport in organometallic perovskite CH3NH3PbI3

T2 - The role of organic cation orientations

AU - Berdiyorov, Golibjon

AU - El-Mellouhi, Fadwa

AU - Madjet, Mohamed

AU - Alharbi, Fahhad

AU - Rashkeev, Sergey

PY - 2016/2/1

Y1 - 2016/2/1

N2 - Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of methylammonium lead-iodide perovskite CH3NH3PbI3. Electronic transport in homogeneous ferroelectric and antiferroelectric phases, both of which do not contain any charged domain walls, is quite similar. The presence of charged domain wall drastically (by about an order of magnitude) enhances the electronic transport in the lateral direction. The increase of the transmission originates from the smaller variation of the electrostatic potential profile along the charged domain walls. This fact may provide a tool for tuning transport properties of such hybrid materials by manipulating molecular cations having dipole moment.

AB - Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of methylammonium lead-iodide perovskite CH3NH3PbI3. Electronic transport in homogeneous ferroelectric and antiferroelectric phases, both of which do not contain any charged domain walls, is quite similar. The presence of charged domain wall drastically (by about an order of magnitude) enhances the electronic transport in the lateral direction. The increase of the transmission originates from the smaller variation of the electrostatic potential profile along the charged domain walls. This fact may provide a tool for tuning transport properties of such hybrid materials by manipulating molecular cations having dipole moment.

UR - http://www.scopus.com/inward/record.url?scp=84957062033&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84957062033&partnerID=8YFLogxK

U2 - 10.1063/1.4941296

DO - 10.1063/1.4941296

M3 - Article

VL - 108

JO - Applied Physics Letters

JF - Applied Physics Letters

SN - 0003-6951

IS - 5

M1 - 053901

ER -