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Strain Mediated Bandgap Reduction, Light Spectrum Broadening, and Carrier Mobility Enhancement of Methylammonium Lead/Tin Iodide Perovskites
Author(s) -
Jiao Yalong,
Ma Fengxian,
Wang Hongxia,
Bell John,
Du Aijun
Publication year - 2017
Publication title -
particle and particle systems characterization
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.877
H-Index - 56
eISSN - 1521-4117
pISSN - 0934-0866
DOI - 10.1002/ppsc.201600288
Subject(s) - band gap , perovskite (structure) , tin , iodide , materials science , electron mobility , density functional theory , absorption edge , charge carrier , effective mass (spring–mass system) , blueshift , optoelectronics , chemistry , inorganic chemistry , crystallography , photoluminescence , computational chemistry , metallurgy , physics , quantum mechanics
Density functional theory calculations are performed to study the electronic and optical properties of methylammonium lead/tin iodide perovskites under hydrostatic strain. It is found that the bandgap is significantly reduced to only 80/14 meV in lead/tin iodide perovskites under a moderate −6%/−4% strain. Such bandgap narrowing consequently induces the redshift of light absorption spectrum of the perovskite material by extending the onset light absorption edge by 200 meV. Additionally, applying external strain is also found to lighten the electron effective mass for CH 3 NH 3 PbI 3 /CH 3 NH 3 SnI 3 , thus enhancing the carrier mobility which benefits the collection of photogenerated charge carriers.