Journal
EPL
Volume 84, Issue 5, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1209/0295-5075/84/57009
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Funding
- NSF [DMR 0528969]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0746395] Funding Source: National Science Foundation
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We present a new method to compute the electronic structure of correlated materials combining the hybrid functional method with the dynamical mean-field theory. As a test example of the method we study cerium sesquioxide, a strongly correlated Mott band insulator. The hybrid functional part improves the magnitude of the pd-band gap which is underestimated in the standard approximations to density functional theory while the dynamical mean-field theory part splits the 4f-electron spectra into a lower and an upper Hubbard band. Copyright (C) EPLA, 2008
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