Abstract
We report magnetic and electronic properties of via neutron powder-diffraction measurements and first-principles density-function theory calculations. We reveal a magnetic ground state with two phases coexisting in which the minor phase is the same as an earlier report [Pinto, Acta Crystallogr., Sect. A33, 663 (1977)10.1107/S0567739477001648.], despite the fact that both materials studied have the same space group but with slightly different atomic positions. Interestingly, both magnetic phases are well captured by first-principles calculations. Furthermore, we show that these two magnetic phases are correlated with electronic properties, with one being insulating and the other being metallic. These features suggest that exhibits competing energetic states in which spin, charge, and lattice degrees of freedom are strongly coupled to each other.
| Original language | English |
|---|---|
| Article number | 134413 |
| Journal | Physical Review B |
| Volume | 104 |
| Issue number | 13 |
| DOIs | |
| State | Published - Oct 1 2021 |
Funding
M. S., H.Z., and X.K. acknowledge the financial support by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division under Award No. DE-SC0019259. Work at Michigan State University was also partially supported by the Start-up funds. S.O. was supported by U.S. DOE, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. A portion of this research used resources at the High Flux Isotope Reactor and the Spallation Neutron Source, the DOE Office of Science User Facility operated by the Oak Ridge National Laboratory.