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Tên báo cáoMetal-insulator transition in early transition metal oxides with covalency effect
Người trình bàyTS. Hung T. Dang
Cơ quanDepartment of Physics, Columbia University, New York
NgàyThứ Hai, 30-09-2013
Giờ10:00 AM
Địa điểmPhòng họp tầng 1, Viện Vật lý, 10 Đào Tấn, Ba Đình, Hà Nội
Tóm tắtTransition 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.