Volume 117, Number 5, March 2017
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||28 April 2017|
Doping an antiferromagnetic insulator: A route to an antiferromagnetic metallic phase
1 Department of Condensed Matter Physics and Material Science, S. N. Bose National Center For Basic Sciences Kolkata 700098, India
2 Solid State and Structural Chemistry Unit, Indian Institute of Science - Bengaluru 560012, India
Received: 7 July 2016
Accepted: 6 April 2017
We have explored doping electrons into an antiferromagnetic (AFM) insulator as a route to realizing an AFM metal within a multiband Hubbard model. Considering parameters relevant for a 5d transition metal oxide with a half-filled t2g band we find that an AFM metallic phase is stabilized for occupancies up to 3.375 electrons per transition metal site for values of U up to 1.75 eV. At higher values of U, one has a charge-ordered insulating state. In contrast, the large Hund coupling associated with the 3d transition metal oxides does not allow for an AFM metallic phase for the concentrations examined. One has a ferromagnetic metallic phase for the 3d oxide for small values of U at 25% doping, however, at large values, one again finds charge ordering. Orbital degeneracy is found to play an important role, introducing the charge-ordered insulating phase into the phase diagram.
PACS: 75.10.-b – General theory and models of magnetic ordering / 71.20.-b – Electron density of states and band structure of crystalline solids
© EPLA, 2017
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