8 июня 2017 в 11:00  в НИТУ МИСиС  (Ленинский проспект, 4, аудитория Б-107) пройдет семинар Electronic Structure and Phase Stability of Correlated Electron Material

докладчик Ivan Leonov (Theoretical Physics III, Center for Electronic Correlations and Magnetism, University of Augsburg, Germany)

The theoretical description of the electronic, magnetic, and structural properties of strongly correlated electron materials is one of the most challenging problems in condensed matter physics. In this talk, I will discuss an application of the novel computational scheme DFT+DMFT to explore the electronic structure and phase stability of correlated materials. In particular, I will present our results for cooperative Jahn-Teller distortion in paramagnetic KCuF3, electronic
and lattice dynamical properties of elemental iron at finite temperatures, and discuss our results for the pressure-induced magnetic collapse and Mott IMT in paramagnetic monoxides MnO, FeO, CoO, and NiO. Our results for the electronic state, equilibrium crystal structure, and structural phase stability are in quantitative agreement with experimental data. We find that electronic correlations are important to explain the electronic structure and lattice stability of correlated materials, e.g., in the vicinity of a Mott IMT.

[1] I. Leonov et al., Phys. Rev. Lett. 101, 096405 (2008); I. Leonov et al., Phys. Rev. Lett. 106, 106405 (2011); Phys. Rev. Lett. 115, 106402 (2015); Phys. Rev. B 91, 195115 (2015); Phys. Rev. B 94, 155135 (2016).