Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session Q41: Synthesis and Spectroscopy
3:00 PM–5:36 PM,
Wednesday, March 8, 2023
Room: Room 319
Sponsoring
Unit:
DMP
Chair: Ross Kerner, National Renewable Energy Laboratory; Joe Berry
Abstract: Q41.00004 : First-principles investigation of Peierls-like distortions and charge disproportionation in complex halide perovskites*
3:36 PM–3:48 PM
Presenter:
Armin Eghdami
(Department of Physics, University of California, Berkeley)
Authors:
Armin Eghdami
(Department of Physics, University of California, Berkeley)
Jonah B Haber
(Materials Sciences Division, Lawrence Berkeley National Laboratory)
Nathan R Wolf
(Department of Chemistry, Stanford University, Stanford)
Hemamala I Karunadasa
(Department of Chemistry, Stanford University, Stanford; Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park)
Jeffrey B Neaton
(Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley)
*This work is supported by the Theory of Materials FWP at LBNL through the Department of Energy; computational resources provided by NERSC.
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