Activities
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Seminars
| Seminar on Theoretical and Computational Physics:
| | Title | Metal-insulator transition in early transition metal oxides with covalency effect
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| Speaker | Dr. Hung T. Dang
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| Affiliation | Department of Physics, Columbia University, New York
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| Date | Monday, 30-09-2013
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| Time | 10:00 AM
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| Location | Meeting room, first floor, Institute of physics, 10 Dao Tan, Ba Dinh, Hanoi
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| Abstract | Transition metal oxides play the central role in strongly correlated systems with many interesting phenomena in which the metal-insulator transition is the most fundamental for the understanding of the correlation effect in these materials. In this study, by using density functional theory plus dynamical mean field theory I will present our recent study of this transition in early transition metal oxides
considering the correlated transition metal $d$ and the uncorrelated oxygen $p$ orbitals. The study shows an approach to fix the $p$-$d$
energy difference, producing reasonable spectra in comparison with
experiments. It reveals the importance of the $p$-$d$ covalency in this
transition and provides a potential method to describe realistic materials.
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