Surface Electronic Structure of Hybrid Organo Lead Bromide Perovskite Single Crystals

Takashi Komesu, Xin Huang, Tula R. Paudel, Yaroslav B. Losovyj, Xin Zhang, Eike F. Schwier, Yohei Kojima, Mingtian Zheng, Hideaki Iwasawa, Kenya Shimada, Makhsud I. Saidaminov, Dong Shi, Ahmed L. Abdelhady, Osman Bakr, Shuai Dong, Evgeny Y. Tsymbal, Peter A. Dowben

Research output: Contribution to journalArticlepeer-review

57 Scopus citations


The electronic structure and band dispersion of methylammonium lead bromide, CH3NH3PbBr3, has been investigated through a combination of angle-resolved photoemission spectroscopy (ARPES) and inverse photoemission spectroscopy (IPES), as well as theoretical modeling based on density functional theory. The experimental band structures are consistent with the density functional calculations. The results demonstrate the presence of a dispersive valence band in MAPbBr3 that peaks at the M point of the surface Brillouin zone. The results also indicate that the surface termination of the CH3NH3PbBr3 is the methylammonium bromide (CH3NH3Br) layer. We find our results support models that predict a heavier hole effective mass in the region of -0.23 to -0.26 me, along the Γ (surface Brillouin center) to M point of the surface Brillouin zone. The surface appears to be n-type as a result of an excess of lead in the surface region. © 2016 American Chemical Society.
Original languageEnglish (US)
Pages (from-to)21710-21715
Number of pages6
JournalThe Journal of Physical Chemistry C
Issue number38
StatePublished - Sep 12 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by the National Science Foundation through the Nebraska MRSEC (Grant DMR-1420645) and the Nebraska Center for Energy Science Research as well as KAUST. Facility use at HiSOR based on HiSOR proposal number 15-A-18 is acknowledged. E.F.S acknowledges financial support from the JSPS postdoctoral fellowship for overseas researchers as well as the Alexander von Humboldt Foundation (Grant P13783). X.H. was supported by the China Scholarship Council.


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