Mayers, Matthew Z. and Tan, Liang Z. and Egger, David A. and Rappe, Andrew M. and Reichman, David R. (2018) How Lattice and Charge Fluctuations Control Carrier Dynamics in Halide Perovskites. NANO LETTERS, 18 (12). pp. 8041-8046. ISSN 1530-6984, 1530-6992
Full text not available from this repository. (Request a copy)Abstract
Here we develop a microscopic approach aimed at the description of a suite of physical effects related to carrier transport in, and the optical properties of, halide perovskites. Our theory is based on the description of the nuclear dynamics to all orders and goes beyond the common assumption of linear electron-phonon coupling in describing the carrier dynamics and band gap characteristics. When combined with first-principles calculations and applied to the prototypical MAPbI(3) system, our theory explains seemingly disparate experimental findings associated with both the charge-carrier mobility and optical absorption properties, including their temperature dependencies. Our findings demonstrate that orbital-overlap fluctuations in the lead halide structure plays a significant role in determining the optoelectronic features of halide perovskites.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TEMPERATURE-DEPENDENCE; OPTICAL-ABSORPTION; SOLAR-CELLS; ENERGY; GAP; Halide perovskites; carrier dynamics; structural dynamics; electron-phonon coupling; carrier mobility; theoretical model |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group David Egger |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 04 Oct 2019 08:54 |
| Last Modified: | 04 Oct 2019 08:54 |
| URI: | https://pred.uni-regensburg.de/id/eprint/13419 |
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