Electronic Structure and Optical Properties of α-CH3NH3PbBr3 Perovskite Single Crystal Ji-Sang Park, Sukgeun Choi, Yong Yan, Ye Yang, Joey M. Luther, Su-Huai Wei, Philip Parilla, and Kai Zhu National Renewable Energy Laboratory, Golden, Colorado 80401, U.S.A.
Figure S.1. (a) Complex refractive index N = n + ik, (b) normal-incidence reflectivity R, and (c) absorption coefficients α for CH3NH3PbBr3 calculated from the modeled complex dielectric function ε = ε1 + iε2 data. The relevant mathematical expressions are listed below the figures. 2.5
6
10
(b) n
5
10
0.2
(c)
4
10 3
3
-1
CH NH PbBr
α (cm )
1.5 0.15
3
1
R
N = n + ik
2
0.25
(a)
3
10
2
10
0.1
0.5
1
10
k 0
1
2
3
4
5
6
0.05
0
1
2
E (eV)
3
4
5
6
10
E (eV)
2
3
4
E (eV)
n=
1" 2 2 ε1 + ε2 + ε1 $% , 2#
(S1.1)
k=
1# 2 2 ε1 + ε2 − ε1 %& , $ 2
(S1.2)
R=
(n −1)2 + k 2 (n +1)2 + k 2
(S1.3)
α=
4πk(λ) λ
(S1.4)
S1
1
5
6
Table S.1. Modeled optical function data, ε = ε1 + iε2, N = n + ik, R, and α for CH3NH3PbBr3 in the spectral range of 0.74 to 6.40 eV with an increment of 0.01 eV. -1