Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites

A. R. Kirmani; A. E. Mansour; M. I. Saidaminov; X. Cui; Dong Shi; A. Alofi; Ya B. Losovyj; G. Gurung; T. R. Paudel; A. J. Yost; P. A. Dowben; E. Y. Tsymbal; A. Amassian; K. Katsiev

doi:10.1063/1.5024527

Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites

A. R. Kirmani, A. E. Mansour, M. I. Saidaminov, X. Cui, Dong Shi, A. Alofi, Ya B. Losovyj, G. Gurung, T. R. Paudel, A. J. Yost, P. A. Dowben^*, E. Y. Tsymbal, A. Amassian, K. Katsiev

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

The electronic structure of methylammonium lead bromide (CH₃NH₃PbBr₃) single crystals has been investigated through a combination of resonant photoemission and theoretical modeling. There are Pb spectral contributions throughout the valence band. Importantly, the electronic structure at the top of the valence band is found to be dominated by the hybridized Pb-Br bands, not methylammonium bromide. The results line up with the partial density of states obtained from density functional theory and confirm that much of the valence band has some Pb spectral weight.

Original language	English (US)
Article number	022101
Journal	Applied Physics Letters
Volume	113
Issue number	2
DOIs	https://doi.org/10.1063/1.5024527
State	Published - Jul 9 2018
Externally published	Yes

Bibliographical note

Funding Information:
The single crystals used in this study were synthesized in the Functional Nanomaterials Lab (FuNL), KAUST, headed by Professor Osman M. Bakr, whose helpful comments on the results and conclusions of this study are acknowledged. The support of King Abdullah University of Science and Technology (KAUST) and Saudi Arabia Basic Industries Corporation (SABIC) is acknowledged. The work at the University of Nebraska was supported by the National Science Foundation through the Nebraska MRSEC (Grant No. DMR-1420645), the Nebraska Center for Energy Science and Research.

Publisher Copyright:
© 2018 Published by AIP Publishing.

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.5024527

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Kirmani, A. R., Mansour, A. E., Saidaminov, M. I., Cui, X., Shi, D., Alofi, A., Losovyj, Y. B., Gurung, G., Paudel, T. R., Yost, A. J., Dowben, P. A., Tsymbal, E. Y., Amassian, A., & Katsiev, K. (2018). Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites. Applied Physics Letters, 113(2), [022101]. https://doi.org/10.1063/1.5024527

@article{9c12c3dea3934dd1bb9a1f5b5f8b5cf7,

title = "Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites",

abstract = "The electronic structure of methylammonium lead bromide (CH3NH3PbBr3) single crystals has been investigated through a combination of resonant photoemission and theoretical modeling. There are Pb spectral contributions throughout the valence band. Importantly, the electronic structure at the top of the valence band is found to be dominated by the hybridized Pb-Br bands, not methylammonium bromide. The results line up with the partial density of states obtained from density functional theory and confirm that much of the valence band has some Pb spectral weight.",

author = "Kirmani, {A. R.} and Mansour, {A. E.} and Saidaminov, {M. I.} and X. Cui and Dong Shi and A. Alofi and Losovyj, {Ya B.} and G. Gurung and Paudel, {T. R.} and Yost, {A. J.} and Dowben, {P. A.} and Tsymbal, {E. Y.} and A. Amassian and K. Katsiev",

note = "Funding Information: The single crystals used in this study were synthesized in the Functional Nanomaterials Lab (FuNL), KAUST, headed by Professor Osman M. Bakr, whose helpful comments on the results and conclusions of this study are acknowledged. The support of King Abdullah University of Science and Technology (KAUST) and Saudi Arabia Basic Industries Corporation (SABIC) is acknowledged. The work at the University of Nebraska was supported by the National Science Foundation through the Nebraska MRSEC (Grant No. DMR-1420645), the Nebraska Center for Energy Science and Research. Publisher Copyright: {\textcopyright} 2018 Published by AIP Publishing.",

year = "2018",

month = jul,

day = "9",

doi = "10.1063/1.5024527",

language = "English (US)",

volume = "113",

journal = "Applied Physics Letters",

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publisher = "AMER INST PHYSICS",

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Kirmani, AR, Mansour, AE, Saidaminov, MI, Cui, X, Shi, D, Alofi, A, Losovyj, YB, Gurung, G, Paudel, TR, Yost, AJ, Dowben, PA, Tsymbal, EY, Amassian, A & Katsiev, K 2018, 'Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites', Applied Physics Letters, vol. 113, no. 2, 022101. https://doi.org/10.1063/1.5024527

TY - JOUR

T1 - Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites

AU - Kirmani, A. R.

AU - Mansour, A. E.

AU - Saidaminov, M. I.

AU - Cui, X.

AU - Shi, Dong

AU - Alofi, A.

AU - Losovyj, Ya B.

AU - Gurung, G.

AU - Paudel, T. R.

AU - Yost, A. J.

AU - Dowben, P. A.

AU - Tsymbal, E. Y.

AU - Amassian, A.

AU - Katsiev, K.

N1 - Funding Information: The single crystals used in this study were synthesized in the Functional Nanomaterials Lab (FuNL), KAUST, headed by Professor Osman M. Bakr, whose helpful comments on the results and conclusions of this study are acknowledged. The support of King Abdullah University of Science and Technology (KAUST) and Saudi Arabia Basic Industries Corporation (SABIC) is acknowledged. The work at the University of Nebraska was supported by the National Science Foundation through the Nebraska MRSEC (Grant No. DMR-1420645), the Nebraska Center for Energy Science and Research. Publisher Copyright: © 2018 Published by AIP Publishing.

PY - 2018/7/9

Y1 - 2018/7/9

N2 - The electronic structure of methylammonium lead bromide (CH3NH3PbBr3) single crystals has been investigated through a combination of resonant photoemission and theoretical modeling. There are Pb spectral contributions throughout the valence band. Importantly, the electronic structure at the top of the valence band is found to be dominated by the hybridized Pb-Br bands, not methylammonium bromide. The results line up with the partial density of states obtained from density functional theory and confirm that much of the valence band has some Pb spectral weight.

AB - The electronic structure of methylammonium lead bromide (CH3NH3PbBr3) single crystals has been investigated through a combination of resonant photoemission and theoretical modeling. There are Pb spectral contributions throughout the valence band. Importantly, the electronic structure at the top of the valence band is found to be dominated by the hybridized Pb-Br bands, not methylammonium bromide. The results line up with the partial density of states obtained from density functional theory and confirm that much of the valence band has some Pb spectral weight.

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DO - 10.1063/1.5024527

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Contributions of the lead-bromine weighted bands to the occupied density of states of the hybrid tri-bromide perovskites

Abstract

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