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Sr3Ir2O7F2: Topochemical conversion of a relativistic Mott state into a spin-orbit driven band insulatoropen access
- Authors
- Peterson, Christi; Swift, Michael W.; Porter, Zach; Clement, Raphaele J.; Wu, Guang; Ahn, G. H.; Moon, S. J.; Chakoumakos, B. C.; Ruff, Jacob P. C.; Cao, Huibo; Van de Walle, Chris G.; Wilson, Stephen D.
- Issue Date
- Oct-2018
- Publisher
- AMER PHYSICAL SOC
- Citation
- PHYSICAL REVIEW B, v.98, no.15
- Indexed
- SCIE
SCOPUS
- Journal Title
- PHYSICAL REVIEW B
- Volume
- 98
- Number
- 15
- ISSN
- 2469-9950
- Abstract
- The topochemical transformation of single crystals of Sr3Ir2O7 into Sr3Ir2O7F2 is reported via fluorine insertion. Characterization of the newly formed Sr3Ir2O7F2 phase shows a nearly complete oxidation of Ir4+ cations into Ir5+ that in turn drives the system from an antiferromagnetic Mott insulator with a half-filled J(eff) = 1/2 band into a nonmagnetic J = 0 band insulator. First principles calculations reveal a remarkably flat insertion energy that locally drives the fluorination process to completion. Band structure calculations support the formation of a band insulator whose charge gap relies on the strong spin-orbit coupling inherent in the Ir metal ions of this compound.
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Related Researcher
- Moon, Soon jae
- COLLEGE OF NATURAL SCIENCES (DEPARTMENT OF PHYSICS)