TY - JOUR
T1 - Valence and Conduction Band Densities of States of Metal Halide Perovskites
T2 - A Combined Experimental-Theoretical Study
AU - Endres, James
AU - Egger, David A.
AU - Kulbak, Michael
AU - Kerner, Ross A.
AU - Zhao, Lianfeng
AU - Silver, Scott H.
AU - Hodes, Gary
AU - Rand, Barry P.
AU - Cahen, David
AU - Kronik, Leeor
AU - Kahn, Antoine
N1 - Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/7/21
Y1 - 2016/7/21
N2 - We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated via density functional theory. The qualitative agreement achieved between experiment and theory leads to the identification of valence and conduction band spectral features, and allows a precise determination of the position of the band edges, ionization energy and electron affinity of the materials. The comparison reveals an unusually low DOS at the valence band maximum (VBM) of these compounds, which confirms and generalizes previous predictions of strong band dispersion and low DOS at the MAPbI3 VBM. This low DOS calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites.
AB - We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated via density functional theory. The qualitative agreement achieved between experiment and theory leads to the identification of valence and conduction band spectral features, and allows a precise determination of the position of the band edges, ionization energy and electron affinity of the materials. The comparison reveals an unusually low DOS at the valence band maximum (VBM) of these compounds, which confirms and generalizes previous predictions of strong band dispersion and low DOS at the MAPbI3 VBM. This low DOS calls for special attention when using electron spectroscopy to determine the frontier electronic states of lead halide perovskites.
UR - http://www.scopus.com/inward/record.url?scp=84979523480&partnerID=8YFLogxK
U2 - 10.1021/acs.jpclett.6b00946
DO - 10.1021/acs.jpclett.6b00946
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AN - SCOPUS:84979523480
SN - 1948-7185
VL - 7
SP - 2722
EP - 2729
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 14
ER -